| Year |
Citation |
Score |
| 2020 |
Perera L, Beard WA, Pedersen LG, Shock DD, Wilson SH. Preferential DNA Polymerase β Reverse Reaction with Imidodiphosphate. Acs Omega. 5: 15317-15324. PMID 32637805 DOI: 10.1021/acsomega.0c01345 |
0.562 |
|
| 2019 |
Shizu R, Yokobori K, Perera L, Pedersen L, Negishi M. Ligand induced dissociation of the AR homodimer precedes AR monomer translocation to the nucleus. Scientific Reports. 9: 16734. PMID 31723170 DOI: 10.1038/S41598-019-53139-9 |
0.632 |
|
| 2019 |
Cooley B, Broze G, Mann DM, Lin FC, Pedersen LG, Stafford DW. Dysfunctional Endogenous FIX Impairs Prophylaxis in a Mouse Hemophilia B Model. Blood. PMID 30992271 DOI: 10.1182/Blood.2018884015 |
0.539 |
|
| 2018 |
Wu S, Chen X, Jin DY, Stafford DW, Pedersen LG, Tie JK. Warfarin and vitamin K epoxide reductase: a molecular accounting for observed inhibition. Blood. PMID 29743176 DOI: 10.1182/Blood-2018-01-830901 |
0.706 |
|
| 2017 |
Perera L, Freudenthal BD, Beard WA, Pedersen LG, Wilson SH. Revealing the role of the product metal in DNA polymerase β catalysis. Nucleic Acids Research. PMID 28108654 DOI: 10.1093/Nar/Gkw1363 |
0.628 |
|
| 2016 |
Perera L, Beard WA, Pedersen LG, Wilson SH. Hiding in Plain Sight: The Bimetallic Magnesium Covalent Bond in Enzyme Active Sites. Inorganic Chemistry. PMID 27976880 DOI: 10.1021/Acs.Inorgchem.6B02189 |
0.652 |
|
| 2015 |
Perera L, Freudenthal BD, Beard WA, Shock DD, Pedersen LG, Wilson SH. Requirement for transient metal ions revealed through computational analysis for DNA polymerase going in reverse. Proceedings of the National Academy of Sciences of the United States of America. 112: E5228-36. PMID 26351676 DOI: 10.1073/Pnas.1511207112 |
0.631 |
|
| 2015 |
Wu S, Shim JY, Lee CJ, Pedersen LG. Do the crystallographic forms of prethrombin-2 revert to a single form in solution? Biophysical Chemistry. 203: 28-32. PMID 26025788 DOI: 10.1016/J.Bpc.2015.05.005 |
0.707 |
|
| 2015 |
Shim JY, Lee CJ, Wu S, Pedersen LG. A model for the unique role of factor Va A2 domain extension in the human ternary thrombin-generating complex. Biophysical Chemistry. 199: 46-50. PMID 25736537 DOI: 10.1016/J.Bpc.2015.02.003 |
0.72 |
|
| 2014 |
Perera L, Beard WA, Pedersen LG, Wilson SH. Applications of quantum mechanical/molecular mechanical methods to the chemical insertion step of DNA and RNA polymerization. Advances in Protein Chemistry and Structural Biology. 97: 83-113. PMID 25458356 DOI: 10.1016/Bs.Apcsb.2014.10.001 |
0.627 |
|
| 2014 |
Wu S, Jun Lee C, Pedersen LG. Analysis on long-range residue-residue communication using molecular dynamics. Proteins. 82: 2896-901. PMID 24935629 DOI: 10.1002/Prot.24629 |
0.559 |
|
| 2014 |
Wu S, Tie JK, Stafford DW, Pedersen LG. Membrane topology for human vitamin K epoxide reductase. Journal of Thrombosis and Haemostasis : Jth. 12: 112-4. PMID 24406068 DOI: 10.1111/Jth.12450 |
0.52 |
|
| 2014 |
Wu S, Beard WA, Pedersen LG, Wilson SH. Structural comparison of DNA polymerase architecture suggests a nucleotide gateway to the polymerase active site. Chemical Reviews. 114: 2759-74. PMID 24359247 DOI: 10.1021/Cr3005179 |
0.645 |
|
| 2013 |
Mutoh S, Sobhany M, Moore R, Perera L, Pedersen L, Sueyoshi T, Negishi M. Phenobarbital indirectly activates the constitutive active androstane receptor (CAR) by inhibition of epidermal growth factor receptor signaling. Science Signaling. 6: ra31. PMID 23652203 DOI: 10.1126/Scisignal.2003705 |
0.609 |
|
| 2013 |
Batra VK, Perera L, Lin P, Shock DD, Beard WA, Pedersen LC, Pedersen LG, Wilson SH. Amino acid substitution in the active site of DNA polymerase β explains the energy barrier of the nucleotidyl transfer reaction. Journal of the American Chemical Society. 135: 8078-88. PMID 23647366 DOI: 10.1021/Ja403842J |
0.685 |
|
| 2012 |
Wu S, Liu S, Sim S, Pedersen LG. Weakly Antiferromagentic Coupling Via Superexchange Interaction Between Mn(II)-Mn(II) Atoms: A QM/MM Study of the Active Site of Human Cytosolic X-Propyl Aminopeptidase P. The Journal of Physical Chemistry Letters. 3: 2293-2297. PMID 23145216 DOI: 10.1021/Jz300768G |
0.649 |
|
| 2012 |
Lee CJ, Wu S, Bartolotti LJ, Pedersen LG. Molecular dynamic simulations of the binary complex of human tissue factor (TF(1-242) ) and factor VIIa (TF(1-242) /FVIIa) on a 4:1 POPC/POPS lipid bilayer. Journal of Thrombosis and Haemostasis : Jth. 10: 2402-5. PMID 22967237 DOI: 10.1111/J.1538-7836.2012.04920.X |
0.606 |
|
| 2012 |
Elking DM, Perera L, Pedersen LG. HPAM: Hirshfeld Partitioned Atomic Multipoles. Computer Physics Communications. 183: 390-397. PMID 22140274 DOI: 10.1016/J.Cpc.2011.10.003 |
0.772 |
|
| 2012 |
Lee CJ, Wu S, Pedersen LG. A revisit to the one-form kinetic model of prothrombinase: A comment on the rebuttal Biophysical Chemistry. 160: 77-78. DOI: 10.1016/J.Bpc.2011.09.005 |
0.533 |
|
| 2011 |
Elking DM, Perera L, Duke R, Darden T, Pedersen LG. A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank. Journal of Computational Chemistry. 32: 3283-95. PMID 21915883 DOI: 10.1002/Jcc.21914 |
0.771 |
|
| 2011 |
Lee CJ, Wu S, Pedersen LG. A proposed ternary complex model of prothrombinase with prothrombin: protein-protein docking and molecular dynamics simulations. Journal of Thrombosis and Haemostasis : Jth. 9: 2123-6. PMID 21827606 DOI: 10.1111/J.1538-7836.2011.04463.X |
0.561 |
|
| 2011 |
Cavanaugh NA, Beard WA, Batra VK, Perera L, Pedersen LG, Wilson SH. Molecular insights into DNA polymerase deterrents for ribonucleotide insertion. The Journal of Biological Chemistry. 286: 31650-60. PMID 21733843 DOI: 10.1074/Jbc.M111.253401 |
0.628 |
|
| 2011 |
Wu S, Liu S, Davis CH, Stafford DW, Kulman JD, Pedersen LG. A hetero-dimer model for concerted action of vitamin K carboxylase and vitamin K reductase in vitamin K cycle. Journal of Theoretical Biology. 279: 143-9. PMID 21453708 DOI: 10.1016/J.Jtbi.2011.03.030 |
0.766 |
|
| 2011 |
Schorzman AN, Perera L, Cutalo-Patterson JM, Pedersen LC, Pedersen LG, Kunkel TA, Tomer KB. Modeling of the DNA-binding site of yeast Pms1 by mass spectrometry. Dna Repair. 10: 454-65. PMID 21354867 DOI: 10.1016/J.Dnarep.2011.01.010 |
0.55 |
|
| 2010 |
Wu S, Liu S, Davis CH, Stafford DW, Pedersen LG. Quantum Chemical Study of the Mechanism of Action of Vitamin K Carboxylase in Solvent. International Journal of Quantum Chemistry. 110: 2744-2751. PMID 21892230 DOI: 10.1002/Qua.22740 |
0.78 |
|
| 2010 |
Elking DM, Perera L, Duke R, Darden T, Pedersen LG. Atomic forces for geometry-dependent point multipole and gaussian multipole models. Journal of Computational Chemistry. 31: 2702-13. PMID 20839297 DOI: 10.1002/Jcc.21563 |
0.778 |
|
| 2010 |
Zurita A, Zhang Y, Pedersen L, Darden T, Birnbaumer L. Obligatory role in GTP hydrolysis for the amide carbonyl oxygen of the Mg(2+)-coordinating Thr of regulatory GTPases. Proceedings of the National Academy of Sciences of the United States of America. 107: 9596-601. PMID 20457940 DOI: 10.1073/Pnas.1004803107 |
0.588 |
|
| 2010 |
Lee CJ, Wu S, Eun C, Pedersen LG. A revisit to the one form kinetic model of prothrombinase. Biophysical Chemistry. 149: 28-33. PMID 20435402 DOI: 10.1016/J.Bpc.2010.03.011 |
0.543 |
|
| 2010 |
de Courcy B, Pedersen LG, Parisel O, Gresh N, Silvi B, Pilmé J, Piquemal JP. Understanding selectivity of hard and soft metal cations within biological systems using the subvalence concept. I. Application to blood coagulation: direct cation-protein electronic effects vs. indirect interactions through water networks. Journal of Chemical Theory and Computation. 6: 1048-1063. PMID 20419068 DOI: 10.1021/Ct100089S |
0.378 |
|
| 2010 |
Liu S, Hu H, Pedersen LG. Steric, quantum, and electrostatic effects on S(N)2 reaction barriers in gas phase. The Journal of Physical Chemistry. A. 114: 5913-8. PMID 20377265 DOI: 10.1021/Jp101329F |
0.497 |
|
| 2010 |
Elking DM, Cisneros GA, Piquemal JP, Darden TA, Pedersen LG. Gaussian Multipole Model (GMM). Journal of Chemical Theory and Computation. 6: 190-202. PMID 20209077 DOI: 10.1021/Ct900348B |
0.783 |
|
| 2010 |
Lee CJ, Chandrasekaran V, Wu S, Duke RE, Pedersen LG. Recent estimates of the structure of the factor VIIa (FVIIa)/tissue factor (TF) and factor Xa (FXa) ternary complex. Thrombosis Research. 125: S7-S10. PMID 20156644 DOI: 10.1016/J.Thromres.2010.01.022 |
0.787 |
|
| 2009 |
Liu S, Schauer CK, Pedersen LG. Molecular acidity: A quantitative conceptual density functional theory description. The Journal of Chemical Physics. 131: 164107. PMID 19894927 DOI: 10.1063/1.3251124 |
0.525 |
|
| 2009 |
Mutoh S, Osabe M, Inoue K, Moore R, Pedersen L, Perera L, Rebolloso Y, Sueyoshi T, Negishi M. Dephosphorylation of threonine 38 is required for nuclear translocation and activation of human xenobiotic receptor CAR (NR1I3). The Journal of Biological Chemistry. 284: 34785-92. PMID 19858220 DOI: 10.1074/Jbc.M109.048108 |
0.63 |
|
| 2009 |
Wu S, Lee CJ, Pedersen LG. Conformational change path between closed and open forms of C2 domain of coagulation factor V on a two-dimensional free-energy surface. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 041909. PMID 19518258 DOI: 10.1103/Physreve.79.041909 |
0.55 |
|
| 2009 |
Liu S, Pedersen LG. Estimation of molecular acidity via electrostatic potential at the nucleus and valence natural atomic orbitals. The Journal of Physical Chemistry. A. 113: 3648-55. PMID 19317439 DOI: 10.1021/Jp811250R |
0.512 |
|
| 2009 |
Chandrasekaran V, Lee CJ, Lin P, Duke RE, Pedersen LG. A computational modeling and molecular dynamics study of the Michaelis complex of human protein Z-dependent protease inhibitor (ZPI) and factor Xa (FXa). Journal of Molecular Modeling. 15: 897-911. PMID 19172319 DOI: 10.1007/S00894-008-0444-3 |
0.808 |
|
| 2009 |
Cisneros GA, Perera L, Schaaper RM, Pedersen LC, London RE, Pedersen LG, Darden TA. Reaction mechanism of the epsilon subunit of E. coli DNA polymerase III: insights into active site metal coordination and catalytically significant residues. Journal of the American Chemical Society. 131: 1550-6. PMID 19119875 DOI: 10.1021/Ja8082818 |
0.773 |
|
| 2009 |
Wu S, Chandrasekaran V, Pedersen LG. Free energy correction to rigid body docking: Application to the colicin E7 and Im7 complex Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 5545: 221-228. DOI: 10.1007/978-3-642-01973-9_25 |
0.767 |
|
| 2008 |
Liu S, Govind N, Pedersen LG. Exploring the origin of the internal rotational barrier for molecules with one rotatable dihedral angle. The Journal of Chemical Physics. 129: 094104. PMID 19044862 DOI: 10.1063/1.2976767 |
0.503 |
|
| 2008 |
Cisneros GA, Perera L, García-Díaz M, Bebenek K, Kunkel TA, Pedersen LG. Catalytic mechanism of human DNA polymerase lambda with Mg2+ and Mn2+ from ab initio quantum mechanical/molecular mechanical studies. Dna Repair. 7: 1824-34. PMID 18692600 DOI: 10.1016/J.Dnarep.2008.07.007 |
0.701 |
|
| 2008 |
Chandrasekaran V, Lee CJ, Duke RE, Perera L, Pedersen LG. Computational study of the putative active form of protein Z (PZa): sequence design and structural modeling. Protein Science : a Publication of the Protein Society. 17: 1354-61. PMID 18493021 DOI: 10.1110/Ps.034801.108 |
0.789 |
|
| 2008 |
Lin P, Batra VK, Pedersen LC, Beard WA, Wilson SH, Pedersen LG. Incorrect nucleotide insertion at the active site of a G:A mismatch catalyzed by DNA polymerase beta. Proceedings of the National Academy of Sciences of the United States of America. 105: 5670-4. PMID 18391201 DOI: 10.1073/Pnas.0801257105 |
0.613 |
|
| 2008 |
Lee CJ, Lin P, Chandrasekaran V, Duke RE, Everse SJ, Perera L, Pedersen LG. Proposed structural models of human factor Va and prothrombinase. Journal of Thrombosis and Haemostasis : Jth. 6: 83-9. PMID 17973648 DOI: 10.1111/J.1538-7836.2007.02821.X |
0.801 |
|
| 2008 |
Patterson K, Colina CM, Perera L, Pedersen LG. Human tissue factor: A molecular dynamics study Aiche Annual Meeting, Conference Proceedings. |
0.651 |
|
| 2007 |
Davis CH, Ii DD, Stafford DW, Pedersen LG. Quantum chemical study of the mechanism of action of vitamin K carboxylase (VKC). IV. Intermediates and transition states. The Journal of Physical Chemistry. A. 111: 7257-61. PMID 17503787 DOI: 10.1021/Jp068564Y |
0.705 |
|
| 2007 |
Lee CJ, Chandrasekaran V, Duke RE, Perera L, Pedersen LG. A proposed structural model of human protein Z. Journal of Thrombosis and Haemostasis : Jth. 5: 1558-61. PMID 17456189 DOI: 10.1111/J.1538-7836.2007.02597.X |
0.774 |
|
| 2007 |
Hoffman M, Colina CM, Mcdonald AG, Arepally GM, Pedersen L, Monroe DM. Tissue factor around dermal vessels has bound factor VII in the absence of injury Journal of Thrombosis and Haemostasis. 5: 1403-1408. PMID 17425666 DOI: 10.1111/J.1538-7836.2007.02576.X |
0.572 |
|
| 2007 |
Davis CH, Deerfield D, Wymore T, Stafford DW, Pedersen LG. A quantum chemical study of the mechanism of action of Vitamin K epoxide reductase (VKOR) II. Transition states. Journal of Molecular Graphics & Modelling. 26: 401-8. PMID 17182266 DOI: 10.1016/J.Jmgm.2006.10.005 |
0.786 |
|
| 2007 |
Davis CH, Deerfield D, Wymore T, Stafford DW, Pedersen LG. A quantum chemical study of the mechanism of action of Vitamin K carboxylase (VKC) III. Intermediates and transition states. Journal of Molecular Graphics & Modelling. 26: 409-14. PMID 17182265 DOI: 10.1016/J.Jmgm.2006.10.006 |
0.782 |
|
| 2007 |
Liu SB, Perera L, Pedersen LG. Binuclear manganese(II) complexes in biological systems Molecular Physics. 105: 2893-2898. DOI: 10.1080/00268970701747199 |
0.64 |
|
| 2006 |
Colina CM, Venkateswarlu D, Duke R, Perera L, Pedersen LG. What causes the enhancement of activity of factor VIIa by tissue factor? Journal of Thrombosis and Haemostasis : Jth. 4: 2726-9. PMID 17002651 DOI: 10.1111/J.1538-7836.2006.02222.X |
0.753 |
|
| 2006 |
Piquemal JP, Perera L, Cisneros GA, Ren P, Pedersen LG, Darden TA. Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure. The Journal of Chemical Physics. 125: 054511. PMID 16942230 DOI: 10.1063/1.2234774 |
0.773 |
|
| 2006 |
Lin P, Pedersen LC, Batra VK, Beard WA, Wilson SH, Pedersen LG. Energy analysis of chemistry for correct insertion by DNA polymerase beta. Proceedings of the National Academy of Sciences of the United States of America. 103: 13294-9. PMID 16938895 DOI: 10.1073/Pnas.0606006103 |
0.616 |
|
| 2006 |
Pedersen LG, Bartolotti L, Li L. Deuterium and its role in the machinery of evolution. Journal of Theoretical Biology. 238: 914-8. PMID 16098990 DOI: 10.1016/J.Jtbi.2005.07.002 |
0.775 |
|
| 2006 |
Ping L, Yang W, Pedersen LC, Negishi M, Pedersen LG. Searching for the minimum energy path in the sulfuryl transfer reaction catalyzed by human estrogen sulfotransferase: Role of enzyme dynamics International Journal of Quantum Chemistry. 106: 2981-2998. DOI: 10.1002/Qua.21123 |
0.511 |
|
| 2006 |
Deerfield D, Davis CH, Wymore T, Stafford DW, Pedersen LG. Quantum chemical study of the mechanism of action of Vitamin K Epoxide Reductase (VKOR) International Journal of Quantum Chemistry. 106: 2944-2952. DOI: 10.1002/Qua.21119 |
0.778 |
|
| 2006 |
Sagui C, Roland C, Pedersen LG, Darden TA. New Distributed Multipole Metdhods for Accurate Electrostatics in Large-Scale Biomolecular Simulations Lecture Notes in Computational Science and Engineering. 49: 297-312. |
0.504 |
|
| 2005 |
Perera L, Pedersen LG. A reconsideration of the evidence for structural reorganization in FVII zymogen. Journal of Thrombosis and Haemostasis : Jth. 3: 1543-5. PMID 15978118 DOI: 10.1111/J.1538-7836.2005.01433.X |
0.517 |
|
| 2005 |
Colina CM, Duke RE, Venkateswarlu D, Perera L, Darden T, Pedersen LG. Atomic molecular dynamical modeling of a large protein complex: Stf-fviia Aiche Annual Meeting, Conference Proceedings. 10513. |
0.751 |
|
| 2004 |
Sagui C, Pedersen LG, Darden TA. Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations. The Journal of Chemical Physics. 120: 73-87. PMID 15267263 DOI: 10.1063/1.1630791 |
0.587 |
|
| 2004 |
Perera L, Darden TA, Duke RE, Venkateswarlu D, Pedersen LG. Early unfolding response of a stable protein domain to environmental changes Journal of Physical Chemistry A. 108: 9834-9840. DOI: 10.1021/Jp048385L |
0.806 |
|
| 2003 |
Venkateswarlu D, Duke RE, Perera L, Darden TA, Pedersen LG. An all-atom solution-equilibrated model for human extrinsic blood coagulation complex (sTF-VIIa-Xa): a protein-protein docking and molecular dynamics refinement study. Journal of Thrombosis and Haemostasis : Jth. 1: 2577-88. PMID 14750502 DOI: 10.1111/J.1538-7836.2003.00421.X |
0.812 |
|
| 2003 |
Negishi M, Dong J, Darden TA, Pedersen LG, Pedersen LC. Glucosaminylglycan biosynthesis: what we can learn from the X-ray crystal structures of glycosyltransferases GlcAT1 and EXTL2. Biochemical and Biophysical Research Communications. 303: 393-8. PMID 12659829 DOI: 10.1016/S0006-291X(03)00356-5 |
0.67 |
|
| 2003 |
Kakuta Y, Li L, Pedersen LC, Pedersen LG, Negishi M. Heparan sulphate N-sulphotransferase activity: reaction mechanism and substrate recognition. Biochemical Society Transactions. 31: 331-4. PMID 12653630 DOI: 10.1042/Bst0310331 |
0.65 |
|
| 2003 |
Pedersen LC, Dong J, Taniguchi F, Kitagawa H, Krahn JM, Pedersen LG, Sugahara K, Negishi M. Crystal structure of an alpha 1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis. The Journal of Biological Chemistry. 278: 14420-8. PMID 12562774 DOI: 10.1074/Jbc.M210532200 |
0.466 |
|
| 2003 |
Gorokhov A, Negishi M, Johnson EF, Pedersen LC, Perera L, Darden TA, Pedersen LG. Explicit water near the catalytic I helix Thr in the predicted solution structure of CYP2A4. Biophysical Journal. 84: 57-68. PMID 12524265 DOI: 10.1016/S0006-3495(03)74832-2 |
0.802 |
|
| 2002 |
Venkateswarlu D, Krishnaswamy S, Darden TA, Pedersen LG. Three-dimensional solution structure of Tropidechis carinatus venom extract trocarin: a structural homologue of Xa and prothrombin activator. Journal of Molecular Modeling. 8: 302-13. PMID 12483230 DOI: 10.1007/S00894-002-0099-4 |
0.804 |
|
| 2002 |
Perera L, Darden TA, Pedersen LG. Predicted solution structure of zymogen human coagulation FVII. Journal of Computational Chemistry. 23: 35-47. PMID 11913388 DOI: 10.1002/Jcc.1155 |
0.729 |
|
| 2002 |
Venkateswarlu D, Perera L, Darden T, Pedersen LG. Structure and dynamics of zymogen human blood coagulation factor X. Biophysical Journal. 82: 1190-206. PMID 11867437 DOI: 10.1016/S0006-3495(02)75476-3 |
0.811 |
|
| 2002 |
Singh P, Jones LA, Foley CK, White PS, Pedersen LG. Structural aspects of phencyclidines: Crystal structure and quantum mechanical calculations for 1-[1-(2-thienyl)cyclohexyl] piperidine and its hydrochloride Journal of Molecular Structure. 608: 55-62. DOI: 10.1016/S0022-2860(01)00932-2 |
0.327 |
|
| 2001 |
Li L, Darden TA, Weinberg CR, Levine AJ, Pedersen LG. Gene assessment and sample classification for gene expression data using a genetic algorithm/k-nearest neighbor method. Combinatorial Chemistry & High Throughput Screening. 4: 727-39. PMID 11894805 DOI: 10.2174/1386207013330733 |
0.628 |
|
| 2001 |
Li L, Weinberg CR, Darden TA, Pedersen LG. Gene selection for sample classification based on gene expression data: study of sensitivity to choice of parameters of the GA/KNN method. Bioinformatics (Oxford, England). 17: 1131-42. PMID 11751221 DOI: 10.1093/Bioinformatics/17.12.1131 |
0.631 |
|
| 2001 |
Negishi M, Pedersen LG, Petrotchenko E, Shevtsov S, Gorokhov A, Kakuta Y, Pedersen LC. Structure and function of sulfotransferases. Archives of Biochemistry and Biophysics. 390: 149-57. PMID 11396917 DOI: 10.1006/Abbi.2001.2368 |
0.745 |
|
| 2001 |
Perera L, Darden TA, Pedersen LG. Modeling human zymogen factor IX. Thrombosis and Haemostasis. 85: 596-603. PMID 11341491 DOI: 10.1055/S-0037-1615639 |
0.705 |
|
| 2001 |
Jin J, Perera L, Stafford D, Pedersen L. Four loops of the catalytic domain of factor VIIa mediate the effect of the first EGF-like domain substitution on factor VIIa catalytic activity Journal of Molecular Biology. 307: 1503-1517. PMID 11292356 DOI: 10.1006/Jmbi.2001.4556 |
0.681 |
|
| 2001 |
Deerfield DW, Carter CW, Pedersen LG. Models for protein-zinc ion binding sites. II. The catalytic sites International Journal of Quantum Chemistry. 83: 150-165. DOI: 10.1002/Qua.1207 |
0.6 |
|
| 2001 |
Li L, Pedersen LG, Darden TA, Weinberg CR. Class prediction and discovery based on gene expression data Proceedings of the Atlantic Symposium On Computational Biology and Genome Information Systems and Technolgoy, Cbgist 2001. 245-249. |
0.475 |
|
| 2000 |
Perera L, Foley C, Darden TA, Stafford D, Mather T, Esmon CT, Pedersen LG. Modeling zymogen protein C. Biophysical Journal. 79: 2925-43. PMID 11106601 DOI: 10.1016/S0006-3495(00)76530-1 |
0.809 |
|
| 2000 |
Gorokhov A, Perera L, Darden TA, Negishi M, Pedersen LC, Pedersen LG. Heparan sulfate biosynthesis: a theoretical study of the initial sulfation step by N-deacetylase/N-sulfotransferase. Biophysical Journal. 79: 2909-17. PMID 11106599 DOI: 10.1016/S0006-3495(00)76528-3 |
0.801 |
|
| 2000 |
Bevan DR, Li L, Pedersen LG, Darden TA. Molecular dynamics simulations of the d(CCAACGTTGG)(2) decamer: influence of the crystal environment. Biophysical Journal. 78: 668-82. PMID 10653780 DOI: 10.1016/S0006-3495(00)76625-2 |
0.68 |
|
| 2000 |
Li L, Pedersen LG, Beard WA, Bebenek K, Wilson SH, Kunkel TA, Darden TA. A Molecular Dynamics Model of HIV-1 Reverse Transcriptase Complexed with DNA: Comparison with Experimental Structures Journal of Molecular Modeling. 6: 575-586. DOI: 10.1007/S0089400060575 |
0.735 |
|
| 2000 |
Tiraboschi G, Gresh N, Giessner-Prettre C, Pedersen LG, Deerfield DW. Parallel Ab Initio and Molecular Mechanics Investigation of Polycoordinated Zn(II) Complexes with Model Hard and Soft Ligands: Variations of Binding Energy and of Its Components with Number and Charges of Ligands Journal of Computational Chemistry. 21: 1011-1039. DOI: 10.1002/1096-987X(200009)21:12<1011::Aid-Jcc1>3.0.Co;2-B |
0.341 |
|
| 2000 |
Mercero JM, Barrett P, Lam CW, Fowler JE, Ugalde JM, Pedersen LG. Quantum Mechanical Calculations on Phosphate Hydrolysis Reactions Journal of Computational Chemistry. 21: 43-51. DOI: 10.1002/(Sici)1096-987X(20000115)21:1<43::Aid-Jcc5>3.0.Co;2-8 |
0.304 |
|
| 1999 |
Perera L, Darden TA, Pedersen LG. Probing the structural changes in the light chain of human coagulation factor VIIa due to tissue factor association. Biophysical Journal. 77: 99-113. PMID 10388743 DOI: 10.1016/S0006-3495(99)76875-X |
0.698 |
|
| 1999 |
Li L, Darden TA, Bartolotti L, Kominos D, Pedersen LG. An atomic model for the pleated beta-sheet structure of Abeta amyloid protofilaments. Biophysical Journal. 76: 2871-8. PMID 10354415 DOI: 10.1016/S0006-3495(99)77442-4 |
0.773 |
|
| 1999 |
Bartolotti L, Kakuta Y, Pedersen L, Negishi M. A quantum mechanical study of the transfer of biological sulfate Journal of Molecular Structure: Theochem. 461: 105-111. DOI: 10.1016/S0166-1280(98)00424-2 |
0.79 |
|
| 1998 |
Sueyoshi T, Kakuta Y, Pedersen LC, Wall FE, Pedersen LG, Negishi M. A role of Lys614 in the sulfotransferase activity of human heparan sulfate N-deacetylase/N-sulfotransferase. Febs Letters. 433: 211-4. PMID 9744796 DOI: 10.1016/S0014-5793(98)00913-2 |
0.514 |
|
| 1998 |
Perera L, Darden TA, Pedersen LG. Trans-cis isomerization of proline 22 in bovine prothrombin fragment 1: a surprising result of structural characterization. Biochemistry. 37: 10920-7. PMID 9692984 DOI: 10.1021/Bi980263U |
0.717 |
|
| 1998 |
Shih P, Pedersen LG, Gibbs PR, Wolfenden R. Hydrophobicities of the nucleic acid bases: distribution coefficients from water to cyclohexane. Journal of Molecular Biology. 280: 421-30. PMID 9665846 DOI: 10.1006/Jmbi.1998.1880 |
0.541 |
|
| 1998 |
Chen Z, Blandl T, Prorok M, Warder SE, Li L, Zhu Y, Pedersen LG, Ni F, Castellino FJ. Conformational changes in conantokin-G induced upon binding of calcium and magnesium as revealed by NMR structural analysis. The Journal of Biological Chemistry. 273: 16248-58. PMID 9632684 DOI: 10.1074/Jbc.273.26.16248 |
0.365 |
|
| 1998 |
Kakuta Y, Pedersen LG, Pedersen LC, Negishi M. Conserved structural motifs in the sulfotransferase family. Trends in Biochemical Sciences. 23: 129-30. PMID 9584614 DOI: 10.1016/S0968-0004(98)01182-7 |
0.489 |
|
| 1998 |
Warder SE, Prorok M, Chen Z, Li L, Zhu Y, Pedersen LG, Ni F, Castellino FJ. The roles of individual gamma-carboxyglutamate residues in the solution structure and cation-dependent properties of conantokin-T. The Journal of Biological Chemistry. 273: 7512-22. PMID 9516452 DOI: 10.1074/Jbc.273.13.7512 |
0.348 |
|
| 1998 |
Darden T, Pearlman D, Pedersen LG. Ionic charging free energies: Spherical versus periodic boundary conditions Journal of Chemical Physics. 109: 10921-10935. DOI: 10.1063/1.477788 |
0.582 |
|
| 1997 |
Rigby AC, Baleja JD, Li L, Pedersen LG, Furie BC, Furie B. Role of gamma-carboxyglutamic acid in the calcium-induced structural transition of conantokin G, a conotoxin from the marine snail Conus geographus. Biochemistry. 36: 15677-84. PMID 9398296 DOI: 10.1021/Bi9718550 |
0.553 |
|
| 1997 |
Kakuta Y, Pedersen LG, Carter CW, Negishi M, Pedersen LC. Crystal structure of estrogen sulphotransferase. Nature Structural Biology. 4: 904-8. PMID 9360604 DOI: 10.1038/Nsb1197-904 |
0.648 |
|
| 1997 |
Perera L, Li L, Darden T, Monroe DM, Pedersen LG. Prediction of solution structures of the Ca2+-bound gamma-carboxyglutamic acid domains of protein S and homolog growth arrest specific protein 6: use of the particle mesh Ewald method. Biophysical Journal. 73: 1847-56. PMID 9336180 DOI: 10.1016/S0006-3495(97)78215-8 |
0.719 |
|
| 1997 |
King AD, Huh NW, Pedersen LG, Hiskey RG. Studies on the peptide corresponding to residues 34-47 of bovine factor X. The Journal of Peptide Research : Official Journal of the American Peptide Society. 50: 34-8. PMID 9273885 DOI: 10.1111/J.1399-3011.1997.Tb00617.X |
0.585 |
|
| 1997 |
Uno T, Mitchell E, Aida K, Lambert MH, Darden TA, Pedersen LG, Negishi M. Reciprocal size-effect relationship of the key residues in determining regio- and stereospecificities of DHEA hydroxylase activity in P450 2a5. Biochemistry. 36: 3193-8. PMID 9115996 DOI: 10.1021/Bi962654J |
0.574 |
|
| 1997 |
Li L, Darden TA, Freedman SJ, Furie BC, Furie B, Baleja JD, Smith H, Hiskey RG, Pedersen LG. Refinement of the NMR solution structure of the gamma-carboxyglutamic acid domain of coagulation factor IX using molecular dynamics simulation with initial Ca2+ positions determined by a genetic algorithm. Biochemistry. 36: 2132-8. PMID 9047312 DOI: 10.1021/Bi962250R |
0.78 |
|
| 1997 |
Deerfield DW, Pedersen LG. Structure and relative acidity for a model zinc finger Journal of Molecular Structure: Theochem. 419: 221-226. DOI: 10.1016/S0166-1280(97)00282-0 |
0.316 |
|
| 1997 |
Miller RE, Pedersen L. The structure of nitrous oxide tetramer from near infrared laser spectroscopy Chemical Physics Letters. 275: 307-313. DOI: 10.1016/S0009-2614(97)00739-2 |
0.492 |
|
| 1997 |
Darden TA, Toukmaji A, Pedersen LG. Long-range electrostatic effects in biomolecular simulations Journal De Chimie Physique Et De Physico-Chimie Biologique. 94: 1346-1364. |
0.515 |
|
| 1996 |
Li L, Darden T, Hiskey R, Pedersen LG. Computational studies of human prothrombin fragment 1, the Gla domain of factor IX and several biological interesting mutants. Haemostasis. 26: 54-9. PMID 8904174 DOI: 10.1159/000217241 |
0.73 |
|
| 1996 |
Wolberg AS, Li L, Cheung WF, Hamaguchi N, Pedersen LG, Stafford DW. Characterization of gamma-carboxyglutamic acid residue 21 of human factor IX. Biochemistry. 35: 10321-7. PMID 8756687 DOI: 10.1021/Bi960502I |
0.701 |
|
| 1996 |
Darden TA, Bartolotti L, Pedersen LG. Selected new developments in computational chemistry. Environmental Health Perspectives. 104: 69-74. PMID 8722111 DOI: 10.1289/Ehp.96104S169 |
0.776 |
|
| 1996 |
Negishi M, Iwasaki M, Juvonen RO, Sueyoshi T, Darden TA, Pedersen LG. Structural flexibility and functional versatility of cytochrome P450 and rapid evolution. Mutation Research. 350: 43-50. PMID 8657195 DOI: 10.1016/0027-5107(95)00089-5 |
0.675 |
|
| 1996 |
Negishi M, Uno T, Darden TA, Sueyoshi T, Pedersen LG. Structural flexibility and functional versatility of mammalian P450 enzymes. Faseb Journal : Official Publication of the Federation of American Societies For Experimental Biology. 10: 683-9. PMID 8635685 DOI: 10.1096/Fasebj.10.7.8635685 |
0.678 |
|
| 1996 |
Taylor FB, Rao VM, Rapaport SI, Tracy PB, Allen DH, Worfolk LA, Lawler RR, Hedner U, Roberts HR, Hoffman M, Monroe DM, Mackman N, Tuddenham EGD, Camerer E, Prydz H, ... ... Pedersen LG, et al. Subject Index, Vol. 26 (suppl 1), 1996 Pathophysiology of Haemostasis and Thrombosis. 26: 166-166. DOI: 10.1159/000217262 |
0.481 |
|
| 1996 |
Taylor FB, Rao VM, Rapaport SI, Tracy PB, Allen DH, Worfolk LA, Lawler RR, Hedner U, Roberts HR, Hoffman M, Monroe DM, Mackman N, Tuddenham EGD, Camerer E, Prydz H, ... ... Pedersen LG, et al. Title Page / Table of Contents, Vol. 26, Supplement 1, 1996 Pathophysiology of Haemostasis and Thrombosis. 26. DOI: 10.1159/000217231 |
0.499 |
|
| 1996 |
Bemish RJ, Rhee WM, Pedersen LG, Miller RE. The structure and intermolecular dynamics of the nitrous oxide-ethylene complex: Experiment and ab initio theory Journal of Chemical Physics. 104: 4411-4418. DOI: 10.1063/1.471193 |
0.503 |
|
| 1996 |
Li L, Darden T, Hiskey R, Pedersen L. Homology Modeling and Molecular Dynamics Simulations of the Gla Domains of Human Coagulation Factor IX and Its G[12]A Mutant The Journal of Physical Chemistry. 100: 2475-2479. DOI: 10.1021/Jp952190J |
0.691 |
|
| 1996 |
Lee H, Darden TA, Pedersen LG. An ab initio quantum mechanical model for the catalytic mechanism of HIV-1 protease Journal of the American Chemical Society. 118: 3946-3950. DOI: 10.1021/Ja9513188 |
0.584 |
|
| 1995 |
Cabaniss S, Deerfield DW, Monroe DM, Hiskey RG, Pedersen LG. Is Ca(II) ion binding to prothrombin fragment 1 intrinsically cooperative, or is the cooperative binding accounted for by self-association? Blood Coagulation & Fibrinolysis : An International Journal in Haemostasis and Thrombosis. 6: 464-73. PMID 8589215 |
0.765 |
|
| 1995 |
Li L, Darden T, Foley C, Hiskey R, Pedersen LG. Homology modeling and molecular dynamics simulation of human prothrombin fragment 1 Protein Science. 4: 2341-2348. PMID 8563631 DOI: 10.1002/Pro.5560041112 |
0.638 |
|
| 1995 |
Deerfield DW, Pedersen LG. The first solvation shell of magnesium and calcium ions in a model nucleic acid environment: an ab initio study. Journal of Biomolecular Structure & Dynamics. 13: 167-80. PMID 8527028 DOI: 10.1080/07391102.1995.10508828 |
0.362 |
|
| 1995 |
Iwasaki M, Davis DG, Darden TA, Pedersen LG, Negishi M. Multiple steroid-binding orientations: alteration of regiospecificity of dehydroepiandrosterone 2- and 7-hydroxylase activities of cytochrome P-450 2a-5 by mutation of residue 209. The Biochemical Journal. 306: 29-33. PMID 7864823 DOI: 10.1042/Bj3060029 |
0.663 |
|
| 1995 |
Deerfield DW, Fox DJ, Head-Gordon M, Hiskey RG, Pedersen LG. The first solvation shell of magnesium ion in a model protein environment with formate, water, and X-NH3, H2S, imidazole, formaldehyde, and chloride as ligands: an Ab initio study. Proteins. 21: 244-55. PMID 7784428 DOI: 10.1002/Prot.340210307 |
0.595 |
|
| 1995 |
Iwasaki M, Darden TA, Pedersen LG, Negishi M. Altering the regiospecificity of androstenedione hydroxylase activity in P450s 2a-4/5 by a mutation of the residue at position 481. Biochemistry. 34: 5054-9. PMID 7711025 DOI: 10.1021/Bi00015A016 |
0.656 |
|
| 1995 |
Bemish RJ, Block PA, Pedersen LG, Miller RE. The ethylene-carbon dioxide complex: A double internal rotor The Journal of Chemical Physics. 103: 7788-7795. DOI: 10.1063/1.470194 |
0.497 |
|
| 1995 |
Essmann U, Perera L, Berkowitz ML, Darden T, Lee H, Pedersen LG. A smooth particle mesh Ewald method The Journal of Chemical Physics. 103: 8577-8593. DOI: 10.1063/1.470117 |
0.64 |
|
| 1995 |
Lee H, Darden TA, Pedersen LG. Molecular dynamics simulation studies of a high resolution Z-DNA crystal The Journal of Chemical Physics. 102: 3830-3834. DOI: 10.1063/1.468564 |
0.618 |
|
| 1995 |
York DM, Yang W, Lee H, Darden T, Pedersen LG. Toward the accurate modeling of DNA: The importance of long-range electrostatics Journal of the American Chemical Society. 117: 5001-5002. DOI: 10.1021/Ja00122A034 |
0.74 |
|
| 1995 |
Lee H, Darden T, Pedersen L. Accurate crystal molecular dynamics simulations using particle-mesh-Ewald: RNA dinucleotides — ApU and GpC Chemical Physics Letters. 243: 229-235. DOI: 10.1016/0009-2614(95)00845-U |
0.592 |
|
| 1994 |
Frech M, Darden TA, Pedersen LG, Foley CK, Charifson PS, Anderson MW, Wittinghofer A. Role of glutamine-61 in the hydrolysis of GTP by p21H-ras: an experimental and theoretical study. Biochemistry. 33: 3237-44. PMID 8136358 DOI: 10.1021/Bi00177A014 |
0.786 |
|
| 1994 |
Iwasaki M, Darden TA, Parker CE, Tomer KB, Pedersen LG, Negishi M. Inherent versatility of P-450 oxygenase. Conferring dehydroepiandrosterone hydroxylase activity to P-450 2a-4 by a single amino acid mutation at position 117. The Journal of Biological Chemistry. 269: 9079-83. PMID 8132645 |
0.519 |
|
| 1994 |
York DM, Wlodawer A, Pedersen LG, Darden TA. Atomic-level accuracy in simulations of large protein crystals. Proceedings of the National Academy of Sciences of the United States of America. 91: 8715-8. PMID 7521533 DOI: 10.1073/Pnas.91.18.8715 |
0.759 |
|
| 1994 |
Amburgey JC, Huh NW, Pedersen LG, Hiskey RG. Small molecule analogs of phospholipid-metal ion binding sites: Potentiometric and spectroscopic studies of Mg(II) and Ca(II) complexes of cyclohexane-1,2,4-triol triphosphates Bioorganic Chemistry. 22: 198-215. DOI: 10.1006/Bioo.1994.1015 |
0.593 |
|
| 1994 |
Amburgey JC, Shuey SW, Pedersen LG, Hiskey RG. Small molecule analogs of phospholipid-metal ion binding sites: Synthesis and molecular modeling of cyclohexane-1,2,4-triol trisphosphates Bioorganic Chemistry. 22: 172-197. DOI: 10.1006/Bioo.1994.1014 |
0.577 |
|
| 1994 |
York DM, Bartolotti LJ, Darden TA, Pedersen LG, Anderson MW. Simulations of the solution structure of HIV‐1 protease in the presence and absence of bound zinc Journal of Computational Chemistry. 15: 61-71. DOI: 10.1002/Jcc.540150108 |
0.803 |
|
| 1993 |
York DM, Darden TA, Pedersen LG, Anderson MW. Molecular dynamics simulation of HIV-1 protease in a crystalline environment and in solution. Biochemistry. 32: 1443-53. PMID 8431424 DOI: 10.1021/Bi00057A007 |
0.762 |
|
| 1993 |
Iwasaki M, Darden TA, Pedersen LG, Davis DG, Juvonen RO, Sueyoshi T, Negishi M. Engineering mouse P450coh to a novel corticosterone 15 alpha-hydroxylase and modeling steroid-binding orientation in the substrate pocket. The Journal of Biological Chemistry. 268: 759-62. PMID 8419350 |
0.546 |
|
| 1993 |
York DM, Darden TA, Pedersen LG, Anderson MW. Molecular modeling studies suggest that zinc ions inhibit HIV-1 protease by binding at catalytic aspartates. Environmental Health Perspectives. 101: 246-50. PMID 8404763 DOI: 10.1289/Ehp.93101246 |
0.778 |
|
| 1993 |
Darden TA, Pedersen LG. Molecular modeling: an experimental tool. Environmental Health Perspectives. 101: 410-2. PMID 8119250 |
0.526 |
|
| 1993 |
York DM, Darden TA, Pedersen LG. The effect of long-range electrostatic interactions in simulations of macromolecular crystals: A comparison of the Ewald and truncated list methods The Journal of Chemical Physics. 99: 8345-8348. DOI: 10.1063/1.465608 |
0.758 |
|
| 1993 |
Bemish RJ, Block PA, Pedersen LG, Weitao Y, Miller RE. The Ar-C2H2 intermolecular potential from high resolution spectroscopy and ab initio theory: A case for multicenter interactions The Journal of Chemical Physics. 99: 8585-8598. DOI: 10.1063/1.465582 |
0.493 |
|
| 1993 |
Block PA, Marshall MD, Pedersen LG, Miller RE. Erratum: Wide amplitude motion in the water–carbon dioxide and water–acetylene complexes [J. Chem. Phys. 96, 7321 (1992)] The Journal of Chemical Physics. 98: 10107-10107. DOI: 10.1063/1.465122 |
0.454 |
|
| 1993 |
Darden T, York D, Pedersen L. Particle mesh Ewald: AnN⋅log(N) method for Ewald sums in large systems The Journal of Chemical Physics. 98: 10089-10092. DOI: 10.1063/1.464397 |
0.643 |
|
| 1993 |
Block PA, Pedersen LG, Miller RE. The structure of Ar-C2H4 from high resolution infrared spectroscopy and ab initio theory: The twofold barrier to C 2H4 internal rotation The Journal of Chemical Physics. 98: 3754-3762. DOI: 10.1063/1.464054 |
0.502 |
|
| 1993 |
York DM, Darden TA, Pedersen LG, Anderson MW. Molecular dynamics simulation of HIV-1 protease in a crystalline environment and in solution. [Erratum to document cited in CA118(21):208404x] Biochemistry. 32: 3196-3196. DOI: 10.1021/Bi00063A035 |
0.659 |
|
| 1993 |
Foley CK, Pedersen LG, Darden TA, Charifson PS, Wittinghofer A, Anderson MW. Molecular Dynamics Studies of H-ras p21-GTP Handbook of Experimental Pharmacology. 108: 235-245. DOI: 10.1007/978-3-642-78267-1_16 |
0.67 |
|
| 1993 |
Shuey SW, Deerfield DW, Amburgey JC, Cabaniss SE, Huh NW, Charifson PS, Pedersen LG, Hiskey RG. Cyclohexanediol bisphosphates as models for phospholipid-metal ion binding sites Bioorganic Chemistry. 21: 95-108. DOI: 10.1006/Bioo.1993.1011 |
0.8 |
|
| 1992 |
Foley CK, Pedersen LG, Charifson PS, Darden TA, Wittinghofer A, Pai EF, Anderson MW. Simulation of the solution structure of the H-ras p21-GTP complex. Biochemistry. 31: 4951-9. PMID 1599919 DOI: 10.1021/Bi00136A005 |
0.804 |
|
| 1992 |
Weber DJ, Berkowitz P, Panek MG, Huh NW, Pedersen LG, Hiskey RG. Modifications of bovine prothrombin fragment 1 in the presence and absence of Ca(II) ions. Loss of positive cooperativity in Ca(II) ion binding for the modified proteins. The Journal of Biological Chemistry. 267: 4564-9. PMID 1531656 |
0.528 |
|
| 1992 |
Balbes LM, Pedersen LG, Hiskey RG. Predicted secondary structure of bovine prothrombin fragment 1 and related proteins in different environments by circular dichroism spectroscopy. International Journal of Peptide and Protein Research. 40: 127-33. PMID 1446970 DOI: 10.1111/J.1399-3011.1992.Tb01460.X |
0.577 |
|
| 1992 |
Hamaguchi N, Charifson P, Darden T, Xiao L, Padmanabhan K, Tulinsky A, Hiskey R, Pedersen L. Molecular dynamics simulation of bovine prothrombin fragment 1 in the presence of calcium ions. Biochemistry. 31: 8840-8. PMID 1390671 DOI: 10.1021/Bi00152A021 |
0.802 |
|
| 1992 |
Berkowitz P, Huh NW, Brostrom KE, Panek MG, Weber DJ, Tulinsky A, Pedersen LG, Hiskey RG. A metal ion-binding site in the kringle region of bovine prothrombin fragment 1. The Journal of Biological Chemistry. 267: 4570-6. PMID 1311313 |
0.55 |
|
| 1992 |
Block PA, Marshall MD, Pedersen LG, Miller RE. Wide amplitude motion in the water–carbon dioxide and water–acetylene complexes Journal of Chemical Physics. 96: 7321-7332. DOI: 10.1063/1.462435 |
0.498 |
|
| 1992 |
Dayton DC, Pedersen LG, Miller RE. Structural determinations for two isomeric forms of nitrous oxide-hydrogen cyanide complex The Journal of Physical Chemistry. 96: 1087-1095. DOI: 10.1021/J100182A014 |
0.456 |
|
| 1992 |
York DM, Darden T, Deerfield D, Pedersen LG. The interaction of Na(I), Ca(II), and Mg(II) metal ions with duplex DNA: A theoretical modeling study International Journal of Quantum Chemistry. 44: 145-166. DOI: 10.1002/Qua.560440715 |
0.802 |
|
| 1992 |
Bursey MM, Pedersen LG. The barrier to proton transfer from multiply protonated molecules: A quantum mechanical approach Organic Mass Spectrometry. 27: 974-975. DOI: 10.1002/Oms.1210270908 |
0.5 |
|
| 1992 |
Dayton DC, Pedersen LG, Miller RE. Structural determinations for two isomeric forms of N2O-HCN Journal of Physical Chemistry. 96: 1087-1095. |
0.451 |
|
| 1992 |
Block PA, Marshall MD, Pedersen LG, Miller RE. Wide amplitude motion in the water-carbon dioxide and water-acetylene complexes The Journal of Chemical Physics. 96: 7321-7332. |
0.378 |
|
| 1991 |
Foley CK, Pedersen LG, Darden TA, Glickman BW, Anderson MW. Theoretical and experimental measures of DNA helix stability and their relation to sequence specific repair of O6-ethylguanine lesions. Mutation Research. 255: 89-93. PMID 2067552 DOI: 10.1016/0921-8777(91)90021-G |
0.79 |
|
| 1991 |
Charifson PS, Darden T, Tulinsky A, Hughey JL, Hiskey RG, Pedersen LG. Solution conformations of the gamma-carboxyglutamic acid domain of bovine prothrombin fragment 1, residues 1-65. Proceedings of the National Academy of Sciences of the United States of America. 88: 424-8. PMID 1988943 DOI: 10.1073/Pnas.88.2.424 |
0.816 |
|
| 1991 |
Huh NW, Berkowitz P, Hiskey RG, Pedersen LG. Determination of strontium binding to macromolecules. Analytical Biochemistry. 198: 391-3. PMID 1799227 DOI: 10.1016/0003-2697(91)90445-Y |
0.566 |
|
| 1991 |
Cabaniss SE, Pugh KC, Pedersen LG, Hiskey RG. Proton, calcium, and magnesium binding by peptides containing gamma-carboxyglutamic acid. International Journal of Peptide and Protein Research. 37: 33-8. PMID 1646183 DOI: 10.1111/J.1399-3011.1991.Tb00730.X |
0.593 |
|
| 1991 |
Deerfield DW, Fox DJ, Head-Gordon M, Hiskey RG, Pedersen LG. Interaction of Calcium and Magnesium Ions with Malonate and the Role of the Waters of Hydration: A Quantum Mechanical Study Journal of the American Chemical Society. 113: 1892-1899. DOI: 10.1021/Ja00006A004 |
0.767 |
|
| 1991 |
Bartolotti LJ, Pedersen LG, Charifson PS. Long range nonbonded attractive constants for some charged atoms Journal of Computational Chemistry. 12: 1125-1128. DOI: 10.1002/Jcc.540120910 |
0.677 |
|
| 1991 |
Charifson PS, Hiskey RG, Pedersen LG, Kuyper LF. Free energy calculations on calcium and magnesium complexes: Protein and phospholipid model systems Journal of Computational Chemistry. 12: 899-908. DOI: 10.1002/Jcc.540120717 |
0.757 |
|
| 1990 |
Cabaniss SE, Pugh KC, Charifson PS, Pedersen LG, Hiskey RG. Synthesis and characterization of 1,1,4,4-butanetetracarboxylic acid. A di-gamma-carboxyglutamic acid (GlaGla) analogue. International Journal of Peptide and Protein Research. 36: 79-85. PMID 2401602 DOI: 10.1111/J.1399-3011.1990.Tb00085.X |
0.743 |
|
| 1990 |
Cain JD, Deerfield DW, Hiskey RG, Pedersen LG. Divalent metal ion mediated interaction of proteins with negatively charged membranes. A model study employing molecular mechanics. International Journal of Peptide and Protein Research. 35: 111-6. PMID 2323886 DOI: 10.1111/J.1399-3011.1990.Tb00244.X |
0.79 |
|
| 1990 |
Lapadat MA, Deerfield DW, Pedersen LG, Spremulli LL. Generation of potential structures for the G-domain of chloroplast EF-Tu using comparative molecular modeling. Proteins. 8: 237-50. PMID 2281086 DOI: 10.1002/Prot.340080306 |
0.742 |
|
| 1990 |
Monroe DM, Deerfield DW, Olson DL, Stewart TN, Treanor RE, Roberts HR, Hiskey RG, Pedersen LG. Calcium ion binding to human and bovine factor X. Blood Coagulation & Fibrinolysis : An International Journal in Haemostasis and Thrombosis. 1: 633-40. PMID 2133243 |
0.552 |
|
| 1990 |
Dayton DC, Pedersen LG, Miller RE. Infrared spectroscopy and ab initio theory of the structural isomers of CO2-HCN The Journal of Chemical Physics. 93: 4560-4570. DOI: 10.1063/1.458696 |
0.437 |
|
| 1990 |
Charifson PS, Hiskey RG, Pedersen LG. Construction and molecular modeling of phospholipid surfaces Journal of Computational Chemistry. 11: 1181-1186. DOI: 10.1002/Jcc.540111010 |
0.756 |
|
| 1989 |
Deerfield DW, Lapadat MA, Spremulli LL, Hiskey RG, Pedersen LG. The role of hydrated divalent metal ions in the bridging of two anionic groups. An ab initio quantum chemical and molecular mechanics study of dimethyl phosphate and formate bridged by calcium and magnesium ions. Journal of Biomolecular Structure & Dynamics. 6: 1077-91. PMID 2818858 DOI: 10.1080/07391102.1989.10506538 |
0.779 |
|
| 1989 |
Deerfield DW, Nicholas HB, Hiskey RG, Pedersen LG. Salt or ion bridges in biological systems: a study employing quantum and molecular mechanics. Proteins. 6: 168-92. PMID 2622904 DOI: 10.1002/Prot.340060207 |
0.797 |
|
| 1989 |
Block PA, Jucks KW, Pedersen LG, Miller RE. The linear and T-shaped isomers of C2H2HCN: Vibrational dynamics from infrared spectroscopy and ab initio theory Chemical Physics. 139: 15-30. DOI: 10.1016/0301-0104(89)90002-5 |
0.397 |
|
| 1988 |
Weber DJ, Pollock JS, Pedersen LG, Hiskey RG. The determination of a calcium-dependent binding constant of the bovine prothrombin Gla domain (residues 1-45) to phospholipid vesicles. Biochemical and Biophysical Research Communications. 155: 230-5. PMID 3415682 DOI: 10.1016/S0006-291X(88)81073-8 |
0.565 |
|
| 1988 |
Pedersen LG, Darden TA, Deerfield DW, Anderson MW, Hoel DG. A theoretical study of the effect of methylation or ethylation at O6-guanine in the structure and energy of DNA double strands. Carcinogenesis. 9: 1553-62. PMID 3409460 DOI: 10.1093/Carcin/9.9.1553 |
0.587 |
|
| 1988 |
Maynard AT, Eastman MA, Darden T, Deerfield DW, Hiskey RG, Pedersen L. Effect of calcium (II) and magnesium (II) ions on the 18-23 gamma-carboxyglutamic acid containing cyclic peptide loop of bovine prothrombin. An AMBER molecular mechanics study. International Journal of Peptide and Protein Research. 31: 137-49. PMID 3366547 DOI: 10.1111/J.1399-3011.1988.Tb00016.X |
0.794 |
|
| 1988 |
Lewis MR, Deerfield DW, Hoke RA, Koehler KA, Pedersen LG, Hiskey RG. Studies on Ca(II) binding to gamma-carboxyglutamic acid. Use of thermal decarboxylation to probe metal ion/gamma-carboxyglutamic acid interactions. The Journal of Biological Chemistry. 263: 1358-63. PMID 3335547 |
0.543 |
|
| 1988 |
Pollock JS, Shepard AJ, Weber DJ, Olson DL, Klapper DG, Pedersen LG, Hiskey RG. Phospholipid binding properties of bovine prothrombin peptide residues 1-45. The Journal of Biological Chemistry. 263: 14216-23. PMID 3170544 |
0.53 |
|
| 1988 |
Radzicka A, Pedersen L, Wolfenden R. Influences of solvent water on protein folding: free energies of solvation of cis and trans peptides are nearly identical Biochemistry. 27: 4538-4541. PMID 3166998 DOI: 10.1021/Bi00412A047 |
0.528 |
|
| 1988 |
Zapata GA, Berkowitz P, Noyes CM, Pollock JS, Deerfield DW, Pedersen LG, Hiskey RG. Chemical modification of bovine prothrombin fragment 1 in the presence of Tb3+ ions. Sequence studies on 3-gamma-MGlu-fragment. The Journal of Biological Chemistry. 263: 8150-6. PMID 3131340 |
0.545 |
|
| 1987 |
Deerfield DW, Olson DL, Berkowitz P, Koehler KA, Pedersen LG, Hiskey RG. Relative affinity of Ca(II) and Mg(II) ions for human and bovine prothrombin and fragment 1. Biochemical and Biophysical Research Communications. 144: 520-7. PMID 3579923 DOI: 10.1016/S0006-291X(87)80540-5 |
0.782 |
|
| 1987 |
Olson DL, Deerfield DW, Berkowitz P, Hiskey RG, Pedersen LG. Determination of magnesium binding to macromolecules. Analytical Biochemistry. 160: 468-70. PMID 3578772 DOI: 10.1016/0003-2697(87)90077-7 |
0.777 |
|
| 1987 |
Deerfield DW, Olson DL, Berkowitz P, Byrd PA, Koehler KA, Pedersen LG, Hiskey RG. Mg(II) binding by bovine prothrombin fragment 1 via equilibrium dialysis and the relative roles of Mg(II) and Ca(II) in blood coagulation. The Journal of Biological Chemistry. 262: 4017-23. PMID 3558405 |
0.533 |
|
| 1987 |
Koehler LS, Jarnagin F, Hiskey RG, Pedersen LG, Koehler KA. Estimation of apparent quadrupolar coupling constants for complexes of magnesium ions with mono- and dicarboxylic acid ligands. Applications to magnesium ion: protein interactions. Journal of Inorganic Biochemistry. 29: 153-64. PMID 3104538 DOI: 10.1016/0162-0134(87)80022-3 |
0.588 |
|
| 1987 |
McKinney J, Fannin R, Jordan S, Chae K, Rickenbacher U, Pedersen L. Polychlorinated biphenyls and related compound interactions with specific binding sites for thyroxine in rat liver nuclear extracts. Journal of Medicinal Chemistry. 30: 79-86. PMID 3100800 DOI: 10.1021/Jm00384A014 |
0.305 |
|
| 1987 |
Long G, McKinney J, Pedersen L. Polychlorinated Dibenzofuran (PCDF) Binding to the Ah Receptor(s) and Associated Enzyme Induction. Theoretical Model Based on Molecular Parameters Quantitative Structure-Activity Relationships. 6: 1-7. DOI: 10.1002/Qsar.19870060102 |
0.315 |
|
| 1986 |
Hoke RA, Deerfield DW, Pedersen LG, Koehler KA, Hiskey RG. Synthesis of a gamma-carboxyglutamic acid containing heptapeptide corresponding to bovine prothrombin residues 17-23. International Journal of Peptide and Protein Research. 28: 569-78. PMID 3818174 DOI: 10.1111/J.1399-3011.1986.Tb03294.X |
0.758 |
|
| 1986 |
Deerfield DW, Hoke RA, Pedersen LG, Darden T, Hiskey RG. Relative spectral response as a function of sequential ligand binding. Biochemical and Biophysical Research Communications. 141: 1207-12. PMID 3814120 DOI: 10.1016/S0006-291X(86)80173-5 |
0.764 |
|
| 1986 |
Wright SF, Berkowitz P, Deerfield DW, Byrd PA, Olson DL, Larson RS, Hinn GC, Koehler KA, Pedersen LG, Hiskey RG. Chemical modification of bovine prothrombin fragment 1 in the presence of Tb3+ ions. The Journal of Biological Chemistry. 261: 10598-605. PMID 3755435 |
0.543 |
|
| 1986 |
Deerfield DW, Berkowitz P, Olson DL, Wells S, Hoke RA, Koehler KA, Pedersen LG, Hiskey RG. The effect of divalent metal ions on the electrophoretic mobility of bovine prothrombin and bovine prothrombin fragment 1. The Journal of Biological Chemistry. 261: 4833-9. PMID 3754256 |
0.537 |
|
| 1986 |
Eastman MA, Pedersen LG, Hiskey RG, Pique M, Koehler KA, Gottschalk KE, Némethy G, Scheraga HA. Conformation of the 18-23 loop region of bovine prothrombin in the absence and presence of a model Ca2+ ion. An energy minimization study. International Journal of Peptide and Protein Research. 27: 530-53. PMID 3733321 |
0.742 |
|
| 1986 |
Pedersen LG, Darden TA, Oatley SJ, McKinney JD. A theoretical study of the binding of polychlorinated biphenyls (PCBs), dibenzodioxins, and dibenzofuran to human plasma prealbumin. Journal of Medicinal Chemistry. 29: 2451-7. PMID 3097319 |
0.547 |
|
| 1986 |
DARDEN T, McKINNEY J, MAYNARD A, OATLEY S, PEDERSEN L. A Molecular Mechanics Study (AMBER) of the Displacement of Thyroxine from the Binding Pocket of Prealbumin by PCBs and PCB Analogues Annals of the New York Academy of Sciences. 482: 249-250. DOI: 10.1111/J.1749-6632.1986.Tb20957.X |
0.681 |
|
| 1986 |
Darden T, McKinney JD, Gottschalk K, Maynard AT, Pedersen LG. A theoretical study of the minimum energy structures of diethylstilbestrol and its analogues by molecular mechanics (MM2p), MNDO, and ab initio calculations Journal of the American Chemical Society. 108: 207-211. DOI: 10.1021/Ja00262A004 |
0.678 |
|
| 1986 |
Marsh HC, Hoke RA, Deerfield DW, Pedersen LG, Hiskey RG, Koehler KA. Terbium ion binding to a synthetic .gamma.-carboxyglutamic acid containing heptapeptide corresponding to bovine prothrombin residues 17-23 Inorganic Chemistry. 25: 4503-4506. DOI: 10.1021/Ic00245A011 |
0.594 |
|
| 1986 |
Kiplinger JP, Pedersen LG, Bursey MM. Direct observation of new antimony-containing anions: SbH2O-, Sb3 -, and monomeric Sb3O5 - Inorganica Chimica Acta. 115: 203-205. DOI: 10.1016/S0020-1693(00)84415-1 |
0.486 |
|
| 1986 |
Lehman TA, Hass JR, Crow FW, Tomer KB, Pedersen LG. Isotope effects in collision-activated dissociations of simple ions International Journal of Mass Spectrometry and Ion Processes. 69: 85-96. DOI: 10.1016/0168-1176(86)87043-4 |
0.302 |
|
| 1986 |
DARDEN T, MCKINNEY JD, GOTTSCHALK K, MAYNARD AT, PEDERSEN LG. ChemInform Abstract: A Theoretical Study of the Minimum Energy Structures of Diethylstilbestrol (I) and Its Analogues (II), (III) by Molecular Mechanics (MM2p), MNDO, and ab initio Calculations. Chemischer Informationsdienst. 17. DOI: 10.1002/Chin.198620054 |
0.784 |
|
| 1986 |
Bursey MM, Harvan DJ, Pedersen LG, Maynard AT. Direct Observation of the HTiO3-Ion. Cheminform. 17. DOI: 10.1002/Chin.198616003 |
0.732 |
|
| 1986 |
Marsh HC, Hoke RA, Deerfield DW, Pedersen LG, Hiskey RG, Koehler KA. Terbium ion binding to a synthetic γ-carboxyglutamic acid containing heptapeptide corresponding to bovine prothrombin residues 17-23 Inorganic Chemistry. 25: 4503-4506. |
0.769 |
|
| 1985 |
Kabis CW, Sarasua MM, Gottschalk KE, Bourne CD, Pedersen LG, Jackson CM, Hiskey RG, Koehler KA. A Kinetic Model Describing the Interaction of Bovine Prothrombin Fragment 1 with Calcium Ions Thrombosis and Haemostasis. 53: 019-023. DOI: 10.1055/S-0038-1661228 |
0.796 |
|
| 1985 |
Bursey MM, Harvan DJ, Pedersen LG, Maynard AT. Direct observation of the hydrogen metatitanate (HTiO3-) ion Inorganic Chemistry. 24: 4748-4749. DOI: 10.1021/Ic00220A064 |
0.731 |
|
| 1985 |
Maynard A, Hiskey R, Pedersen L, Koehler K. An ab initio mo study of calcium and magnesium complexes with malonate and formate Journal of Molecular Structure: Theochem. 124: 213-221. DOI: 10.1016/0166-1280(85)80008-7 |
0.757 |
|
| 1985 |
McKinney JD, Darden T, Lyerly MA, Pedersen LG. PCB and related compound binding to the Ah receptor(s) theoretical model based on molecular parameters and molecular mechanics Quantitative Structure-Activity Relationships. 4: 166-172. DOI: 10.1002/Qsar.19850040405 |
0.33 |
|
| 1985 |
Bursey MM, Harvan DJ, Pedersen LG, Maynard AT. Direct observation of the HTiO3 - ion Inorganic Chemistry. 24: 4748-4749. |
0.468 |
|
| 1984 |
Washington K, Sarasua MM, Koehler LS, Koehler KA, Schultz JA, Pedersen LG, Hiskey RG. Utilization of heavy-atom effect quenching of pyrene fluorescence to determine the intramembrane distribution of halothane. Photochemistry and Photobiology. 40: 693-701. PMID 6549213 DOI: 10.1111/J.1751-1097.1984.Tb04639.X |
0.764 |
|
| 1984 |
Long GA, Hiskey RG, Pedersen LG, Koehler KA. The role of γ-carboxyclutamic acid (Gla) in blood clotting proteins: A theoretical study of Mg-malonate complexes Journal of Molecular Structure: Theochem. 108: 173-178. DOI: 10.1016/0166-1280(84)85003-4 |
0.59 |
|
| 1983 |
Bursey MM, Cerny RL, Pedersen LG, Gottschalk KE, Tomer KB, Lehman TA. Direct observation of the H2NO2– ion Journal of the Chemical Society, Chemical Communications. 517-518. DOI: 10.1039/C39830000517 |
0.735 |
|
| 1983 |
McKinney JD, Gottschalk KE, Pedersen L. The polarizability of planar aromatic systems. An application to polychlorinated biphenyls (PCB's), dioxins and polyaromatic hydrocarbons Journal of Molecular Structure: Theochem. 105: 427-438. DOI: 10.1016/0166-1280(83)80220-6 |
0.676 |
|
| 1983 |
McKinney JD, Gottschalk KE, Pedersen L. A theoretical investigation of the conformation of polychlorinated biphenyls (PCB's) Journal of Molecular Structure: Theochem. 104: 445-450. DOI: 10.1002/Chin.198401065 |
0.638 |
|
| 1982 |
Gottschalk K, Hiskey R, Pedersen L, Koehler K. A theoretical study of malonate and formate calcium binding by ab initio techniques Journal of Molecular Structure: Theochem. 87: 155-159. DOI: 10.1016/0166-1280(82)80049-3 |
0.749 |
|
| 1982 |
Gottschalk KE, Hiskey RG, Pedersen LG, Koehler KA. A theoretical study of the chelation complex comprising formate ions, calcium ion and water of hydration Journal of Molecular Structure. 90: 265-269. DOI: 10.1016/0022-2860(82)90226-5 |
0.763 |
|
| 1982 |
Fraley DF, Pedersen LG, Bursey MM. Resistive heating of emitter wires for field desorption and ionization: A theory International Journal of Mass Spectrometry and Ion Physics. 43: 99-129. DOI: 10.1016/0020-7381(82)80002-8 |
0.466 |
|
| 1981 |
Gottschalk K, Hiskey R, Pedersen L, Koehler K. A theoretical study of malonate ion and its metal binding by ab initio and semiempirical techniques Journal of Molecular Structure: Theochem. 76: 197-201. DOI: 10.1016/0166-1280(81)85101-9 |
0.766 |
|
| 1981 |
Gottschalk K, Hiskey R, Pedersen L, Koehler K. A theoretical study of the interaction of magnesium (II) and two malonate ions Journal of Molecular Structure: Theochem. 85: 337-342. DOI: 10.1016/0166-1280(81)85033-6 |
0.756 |
|
| 1981 |
Youngless TL, Bursey MM, Pedersen LG. Field ionization at a surface modified by chemically bound carboxylic acid groups International Journal of Mass Spectrometry and Ion Physics. 38: 223-239. DOI: 10.1016/0020-7381(81)80069-1 |
0.493 |
|
| 1980 |
Youngless TL, Bursey MM, Pedersen LG. Chemical field ionization. Effect of chemically bonded surface groups in field ionization mass spectrometry Journal of the American Chemical Society. 102: 6881-6882. DOI: 10.1021/Ja00542A052 |
0.487 |
|
| 1980 |
Sarasua MM, Scott ME, Helpern JA, Ten Kortenaar PBW, Boggs NT, Pedersen LG, Koehler KA, Hiskey RG. Europium ion coordination with .gamma.-carboxyglutamic acid containing ligand systems Journal of the American Chemical Society. 102: 3404-3412. DOI: 10.1021/Ja00530A017 |
0.782 |
|
| 1980 |
SARASUA MM, SCOTT ME, HELPERN JA, TEN KORTENAAR PBW, BOGGS NTI, PEDERSEN LG, KOEHLER KA, HISKEY RG. ChemInform Abstract: EUROPIUM ION COORDINATION WITH Γ-CARBOXYGLUTAMIC ACID CONTAINING LIGAND SYSTEMS Chemischer Informationsdienst. 11. DOI: 10.1002/chin.198032109 |
0.777 |
|
| 1980 |
BURSEY MM, HARVAN DJ, PARKER CE, PEDERSEN LG, HASS JR. ChemInform Abstract: CONSEQUENCES OF CHARGE REVERSAL OF GASEOUS FORMATE AND ACETATE IONS. ACYLOXY IONS Chemischer Informationsdienst. 11. DOI: 10.1002/chin.198001157 |
0.473 |
|
| 1979 |
Bursey MM, Harvan DJ, Parker CE, Pedersen LG, Hass JR. Consequences of charge reversal of gaseous formate and acetate ions. Acyloxy ions Journal of the American Chemical Society. 101: 5489-5493. DOI: 10.1021/Ja00513A006 |
0.529 |
|
| 1978 |
Eslava LA, Putnam JB, Pedersen L. An AB initio investigation of molecules with a disulfide bond: (HS)2, (CH3S)2 and cystine. International Journal of Peptide and Protein Research. 11: 149-53. PMID 640773 DOI: 10.1111/J.1399-3011.1978.Tb02833.X |
0.512 |
|
| 1978 |
Captaini JF, Pedersen L. Rotational barriers in the guanidinium ion: an ab initio study Chemical Physics Letters. 54: 547-550. DOI: 10.1016/0009-2614(78)85282-8 |
0.328 |
|
| 1976 |
Putnam JB, Pedersen LG. Discovery of a 3',5'-guanosine monophosphate simulating factor in amoebae of Dictyostelium discoideum. Biochimica Et Biophysica Acta. 411: 168-70. PMID 170997 DOI: 10.1016/0304-4165(75)90296-2 |
0.48 |
|
| 1976 |
McLean W, Pedersen LG, Jarnagin RC. Alkyl–metal surface complexes: Methyl and lithium The Journal of Chemical Physics. 65: 2491-2500. DOI: 10.1063/1.433451 |
0.31 |
|
| 1976 |
Greenberg R, Bursey M, Pedersen L. Additions and Corrections - Molecular Orbital Studies of the Protonation of the Methylanisoles Journal of the American Chemical Society. 98: 8295-8295. DOI: 10.1021/Ja00441A603 |
0.514 |
|
| 1976 |
Greenberg RS, Bursey MM, Pedersen LG. Molecular orbital studies of the protonation of the methylanisoles Journal of the American Chemical Society. 98: 4061-4064. DOI: 10.1002/Chin.197639148 |
0.51 |
|
| 1976 |
GREENBERG RS, BURSEY MM, PEDERSEN LG. ChemInform Abstract: MOLECULAR ORBITAL STUDIES OF THE PROTONATION OF THE METHYLANISOLES Chemischer Informationsdienst. 7: no-no. DOI: 10.1002/chin.197639148 |
0.451 |
|
| 1975 |
Bursey MM, Greenberg RS, Pedersen LG. Position of protonation of the cresols: Semi-empirical and ab initio calculations Chemical Physics Letters. 36: 470-474. DOI: 10.1016/0009-2614(75)80282-X |
0.512 |
|
| 1975 |
Bursey MM, Kao J, Pedersen L. The lowest electronic states of the benzoyl ion. A molecular orbital study with configuration interaction Organic Mass Spectrometry. 10: 38-42. DOI: 10.1002/Oms.1210100107 |
0.506 |
|
| 1974 |
Parker CE, Bursey MM, Pedersen LG. Internal rotation in the molecular ions of benzoic acid and salicylic acid. An INDO molecular orbital approach Organic Mass Spectrometry. 9: 204-210. DOI: 10.1002/Oms.1210090208 |
0.551 |
|
| 1973 |
Parker CE, Hass JR, Bursey MM, Pedersen LG. The ortho effect in mass spectra. Insight into the tightening of activated complexes for the loss of ketene from phenyl acetates and ethylene from phenetoles from INDO molecular orbital calculations Organic Mass Spectrometry. 7: 1189-1195. DOI: 10.1002/Oms.1210071008 |
0.561 |
|
| 1973 |
Parker CE, Bursey MM, Pedersen LG. Scrambling in ethane molecular ion: An INDO model for hydrogen exchange before mass spectral fragmentation Organic Mass Spectrometry. 7: 1077-1081. DOI: 10.1002/Oms.1210070908 |
0.579 |
|
| 1970 |
Pedersen L, Griffin R. On the structure of the Li-napthalenide anion Chemical Physics Letters. 5: 373-376. DOI: 10.1016/0009-2614(70)85170-3 |
0.313 |
|
| 1968 |
Morokuma K, Pedersen L. Molecular‐Orbital Studies of Hydrogen Bonds. An Ab Initio Calculation for Dimeric H2O The Journal of Chemical Physics. 48: 3275-3282. DOI: 10.1063/1.1669604 |
0.546 |
|
| 1968 |
Morokuma K, Pedersen L, Karplus M. Structure of CH3 and CF3 The Journal of Chemical Physics. 48: 4801-4802. DOI: 10.1063/1.1668076 |
0.625 |
|
| 1967 |
Pedersen L, Morokuma K. Ab InitioCalculations of the Barriers to Internal Rotation of CH3CH3, CH3NH2, CH3OH, N2H4, H2O2, and NH2OH The Journal of Chemical Physics. 46: 3941-3947. DOI: 10.1063/1.1840468 |
0.54 |
|
| 1967 |
Morokuma K, Pedersen L, Karplus M. Vibrational vs. translational activation in the H2,H2 and H2,D2 exchange reactions Journal of the American Chemical Society. 89: 5064-5065. DOI: 10.1021/Ja00995A055 |
0.622 |
|
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