Year |
Citation |
Score |
2023 |
Makowski JA, Kensinger AH, Cunningham CL, Frye CJ, Shine M, Lackey PE, Mihailescu MR, Evanseck JD. Delta SARS-CoV-2 s2m Structure, Dynamics, and Entropy: Consequences of the G15U Mutation. Acs Physical Chemistry Au. 3: 434-443. PMID 37780540 DOI: 10.1021/acsphyschemau.3c00008 |
0.769 |
|
2023 |
Cunningham CL, Frye CJ, Makowski JA, Kensinger AH, Shine M, Milback EJ, Lackey PE, Evanseck JD, Mihailescu MR. Effect of the SARS-CoV-2 Delta-associated G15U mutation on the s2m element dimerization and its interactions with miR-1307-3p. Rna (New York, N.Y.). PMID 37604684 DOI: 10.1261/rna.079627.123 |
0.763 |
|
2023 |
Shine M, Harris SE, Pellegrene KA, Kensinger AH, Mihailescu MR, Evanseck JD, Lackey PE. Uridylation of the histone mRNA stem-loop weakens binding interactions with SLBP while maintaining interactions with 3'hExo. Rna Biology. 20: 469-481. PMID 37516934 DOI: 10.1080/15476286.2023.2171760 |
0.751 |
|
2023 |
Tamez A, Nilsson L, Mihailescu MR, Evanseck JD. Parameterization of the miniPEG-Modified γPNA Backbone: Toward Induced γPNA Duplex Dissociation. Journal of Chemical Theory and Computation. PMID 37195939 DOI: 10.1021/acs.jctc.2c01163 |
0.604 |
|
2023 |
Cunningham CL, Frye CJ, Makowski JA, Kensinger AH, Shine M, Milback EJ, Lackey PE, Evanseck JD, Mihailescu MR. Effect of the SARS-CoV-2 Delta-associated G15U mutation on the s2m element dimerization and its interactions with miR-1307-3p. Biorxiv : the Preprint Server For Biology. PMID 36798421 DOI: 10.1101/2023.02.10.528014 |
0.763 |
|
2022 |
Kensinger AH, Makowski JA, Pellegrene KA, Imperatore JA, Cunningham CL, Frye CJ, Lackey PE, Mihailescu MR, Evanseck JD. Structural, Dynamical, and Entropic Differences between SARS-CoV and SARS-CoV-2 s2m Elements Using Molecular Dynamics Simulations. Acs Physical Chemistry Au. 3: 30-43. PMID 36711027 DOI: 10.1021/acsphyschemau.2c00032 |
0.742 |
|
2022 |
Frye CJ, Shine M, Makowski JA, Kensinger AH, Cunningham CL, Milback EJ, Evanseck JD, Lackey PE, Mihailescu MR. Bioinformatics Analysis of the s2m Mutations within the SARS-CoV-2 Omicron Lineages. Journal of Medical Virology. PMID 36098272 DOI: 10.1002/jmv.28141 |
0.725 |
|
2021 |
Imperatore JA, Cunningham CL, Pellegrene KA, Brinson RG, Marino JP, Evanseck JD, Mihailescu MR. Highly conserved s2m element of SARS-CoV-2 dimerizes via a kissing complex and interacts with host miRNA-1307-3p. Nucleic Acids Research. PMID 34908151 DOI: 10.1093/nar/gkab1226 |
0.787 |
|
2020 |
Pellegrene KA, Mihailescu M, Evanseck JD. Energy Landscape of the Complex Between the RGG Box Domain of Fragile-X Mental Retardation Protein and an RNA G-quadruplex Biophysical Journal. 118: 224a-225a. DOI: 10.1016/J.Bpj.2019.11.1330 |
0.753 |
|
2019 |
Pellegrene KA, Rita Mihailescu M, Evanseck JD. Characterization of the Interactions of Fragile-X Mental Retardation Protein with C9orf72 Repeat Expanded RNA Biophysical Journal. 116: 505a. DOI: 10.1016/J.Bpj.2018.11.2724 |
0.756 |
|
2018 |
Pellegrene KA, Mihailescu M, Evanseck JD. G Quadruplex and Stem Interactions in RGG Box Domain Recognition Biophysical Journal. 114: 439a. DOI: 10.1016/J.Bpj.2017.11.2431 |
0.755 |
|
2018 |
Benner EM, Evanseck JD. Translocation of Potassium in Initiating Reset of Monoamine Transporter Proteins from Microsecond Molecular Dynamics Simulations Biophysical Journal. 114: 332a. DOI: 10.1016/J.Bpj.2017.11.1861 |
0.303 |
|
2015 |
Kochanek SE, Clymer TM, Pakkala VS, Hebert SP, Reeping K, Firestine SM, Evanseck JD. Intramolecular charge-assisted hydrogen bond strength in pseudochair carboxyphosphate. The Journal of Physical Chemistry. B. 119: 1184-91. PMID 25405523 DOI: 10.1021/Jp506796R |
0.321 |
|
2014 |
Summerton JC, Martin GM, Evanseck JD, Chapman MS. Common hydrogen bond interactions in diverse phosphoryl transfer active sites. Plos One. 9: e108310. PMID 25238155 DOI: 10.1371/Journal.Pone.0108310 |
0.344 |
|
2010 |
HOUK KN, LI Y, EVANSECK JD. ChemInform Abstract: Transition Structures of Hydrocarbon Pericyclic Reactions Cheminform. 23: no-no. DOI: 10.1002/chin.199238322 |
0.305 |
|
2007 |
Acevedo O, Jorgensen WL, Evanseck JD. Elucidation of Rate Variations for a Diels-Alder Reaction in Ionic Liquids from QM/MM Simulations. Journal of Chemical Theory and Computation. 3: 132-8. PMID 26627159 DOI: 10.1021/Ct6002753 |
0.652 |
|
2007 |
Plumley JA, Evanseck JD. Covalent and ionic nature of the dative bond and account of accurate ammonia borane binding enthalpies. The Journal of Physical Chemistry. A. 111: 13472-83. PMID 18052261 DOI: 10.1021/Jp074937Z |
0.312 |
|
2007 |
Acevedo O, Jorgensen WL, Evanseck JD. Elucidation of rate variations for a diels-alder reaction in ionic liquids from QM/MM simulations Journal of Chemical Theory and Computation. 3: 132-138. DOI: 10.1021/ct6002753 |
0.578 |
|
2006 |
Stein SAM, Loccisano AE, Firestine SM, Evanseck JD. Chapter 13 Principal Components Analysis: A Review of its Application on Molecular Dynamics Data Annual Reports in Computational Chemistry. 2: 233-261. DOI: 10.1016/S1574-1400(06)02013-5 |
0.35 |
|
2005 |
Zhou Z, Madrid M, Evanseck JD, Madura JD. Effect of a bound non-nucleoside RT inhibitor on the dynamics of wild-type and mutant HIV-1 reverse transcriptase. Journal of the American Chemical Society. 127: 17253-60. PMID 16332074 DOI: 10.1021/Ja053973D |
0.607 |
|
2005 |
Henriksen BS, Zahn TJ, Evanseck JD, Firestine SM, Gibbs RA. Computational and conformational evaluation of FTase alternative substrates: insight into a novel enzyme binding pocket. Journal of Chemical Information and Modeling. 45: 1047-52. PMID 16045300 DOI: 10.1021/Ci0496550 |
0.337 |
|
2004 |
DeChancie J, Acevedo O, Evanseck JD. Density functional theory determination of an axial gateway to explain the rate and endo selectivity enhancement of Diels-Alder reactions by bis(oxazoline)-Cu(II). Journal of the American Chemical Society. 126: 6043-7. PMID 15137769 DOI: 10.1021/Ja037702J |
0.544 |
|
2004 |
Loccisano AE, Acevedo O, DeChancie J, Schulze BG, Evanseck JD. Enhanced sampling by multiple molecular dynamics trajectories: carbonmonoxy myoglobin 10 micros A0-->A(1-3) transition from ten 400 picosecond simulations. Journal of Molecular Graphics & Modelling. 22: 369-76. PMID 15099833 DOI: 10.1016/J.Jmgm.2003.12.004 |
0.589 |
|
2004 |
Acevedo O, Evanseck JD. Transition States and Transition Structures Cheminform. 35. DOI: 10.1002/chin.200427286 |
0.484 |
|
2003 |
Acevedo O, Evanseck JD. The effect of solvent on a Lewis acid catalyzed Diels-Alder reaction, using computed and experimental kinetic isotope effects. Organic Letters. 5: 649-52. PMID 12605481 DOI: 10.1021/Ol027408G |
0.577 |
|
2003 |
Macias AT, Norton JE, Evanseck JD. Impact of multiple cation-pi interactions upon calix[4]arene substrate binding and specificity. Journal of the American Chemical Society. 125: 2351-60. PMID 12590565 DOI: 10.1021/Ja0285971 |
0.757 |
|
2003 |
Acevedo O, Evanseck JD. Transition structure models of organic reactions in chloroaluminate ionic liquids cyclopentadiene and methyl acrylate diels-alder reaction in acidic and basic melts of 1-ethyl-3-methylimidazolium chloride with aluminum(III) chloride Acs Symposium Series. 856: 174-190. |
0.542 |
|
2002 |
Dick TJ, Acevedo O, Dalal P, Madura JD, Evanseck JD, Mathews JP. Molecular Basis for Carbon Dioxide Sequestration in Coal Acs Division of Fuel Chemistry, Preprints. 47: 14-16. |
0.645 |
|
2001 |
Rovira C, Schulze B, Eichinger M, Evanseck JD, Parrinello M. Influence of the heme pocket conformation on the structure and vibrations of the Fe-CO bond in myoglobin: A QM/MM density functional study Biophysical Journal. 81: 435-445. PMID 11423426 DOI: 10.1016/S0006-3495(01)75711-6 |
0.347 |
|
2000 |
Macias AT, Kumar KA, Marchand AP, Evanseck JD. Computational studies of inclusion phenomena and synthesis of a novel and selective molecular receptor for 1,4-disubstituted benzenes and 4,4'-disubstituted biphenyls The Journal of Organic Chemistry. 65: 2083-9. PMID 10774029 DOI: 10.1021/Jo991669V |
0.753 |
|
2000 |
Macias AT, Kumar KA, Marchand AP, Evanseck JD. Computational studies of inclusion phenomena and synthesis of a novel and selective molecular receptor for 1,4-disubstituted benzenes and 4,4'- disubstituted biphenyls Journal of Organic Chemistry. 65: 2083-2089. DOI: 10.1021/jo991669v |
0.74 |
|
2000 |
Schulze BG, Grubmuller H, Evanseck JD. Functional significance of hierarchical tiers in carbonmonoxy myoglobin: Conformational substates and transitions studied by conformational flooding simulations Journal of the American Chemical Society. 122: 8700-8711. DOI: 10.1021/Ja993788Y |
0.358 |
|
2000 |
Kong S, Evanseck JD. Density functional theory study of aqueous-phase rate acceleration and endo/exo selectivity of the butadiene and acrolein Diels-Alder reaction Journal of the American Chemical Society. 122: 10418-10427. DOI: 10.1021/Ja0010249 |
0.605 |
|
1999 |
Schulze BG, Evanseck JD. Cooperative role of Arg45 and His64 in the spectroscopic A3 state of carbonmonoxy myoglobin: Molecular dynamics simulations, multivariate analysis, and quantum mechanical computations Journal of the American Chemical Society. 121: 6444-6454. DOI: 10.1021/Ja982115X |
0.366 |
|
1998 |
MacKerell AD, Bashford D, Bellott M, Dunbrack RL, Evanseck JD, Field MJ, Fischer S, Gao J, Guo H, Ha S, Joseph-McCarthy D, Kuchnir L, Kuczera K, Lau FT, Mattos C, et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins. The Journal of Physical Chemistry. B. 102: 3586-616. PMID 24889800 DOI: 10.1021/Jp973084F |
0.721 |
|
1998 |
Caves LSD, Evanseck JD, Karplus M. Locally accessible conformations of proteins: Multiple molecular dynamics simulations of crambin Protein Science. 7: 649-666. PMID 9541397 DOI: 10.1002/Pro.5560070314 |
0.515 |
|
1997 |
Castro R, Davidov PD, Kumar KA, Marchand AP, Evanseck JD, Kaifer AE. INCLUSION COMPLEXATION OF CYCLOBIS(PARAQUAT-p-PHENYLENE) AND RELATED CYCLOPHANE DERIVATIVES WITH SUBSTITUTED AROMATICS: COOPERATIVE NON-COVALENT CAVITY AND EXTERNAL INTERACTIONS Journal of Physical Organic Chemistry. 10: 369-382. DOI: 10.1002/(Sici)1099-1395(199705)10:5<369::Aid-Poc917>3.0.Co;2-I |
0.402 |
|
1996 |
Castro R, Nixon KR, Evanseck JD, Kaifer AE. Effects of Side Arm Length and Structure of Para-Substituted Phenyl Derivatives on Their Binding to the Host Cyclobis(paraquat-p-phenylene). The Journal of Organic Chemistry. 61: 7298-7303. PMID 11667653 DOI: 10.1021/Jo9610321 |
0.352 |
|
1996 |
Castro R, Berardi MJ, Córdova E, Ochoa De Olza M, Kaifer AE, Evanseck JD. Unexpected roles of guest polarizability and maximum hardness, and of host solvation in supramolecular inclusion complexes: A dual theoretical and experimental study Journal of the American Chemical Society. 118: 10257-10268. DOI: 10.1021/Ja960700X |
0.395 |
|
1995 |
Evanseck JD, Thomas IV BE, Spellmeyer DC, Houk KN. Transition structures of thermally allowed disrotatory electrocyclizations. the prediction of stereoselective substituent effects in six-electron pericyclic reactions The Journal of Organic Chemistry. 60: 7134-7141. DOI: 10.1021/Jo00127A016 |
0.307 |
|
1994 |
Evanseck JD, Houk KN, Briggs JM, Jorgensen WL. Quantification of Solvent Effects on the Acidities of Z and E Esters from Fluid Simulations Journal of the American Chemical Society. 116: 10630-10638. DOI: 10.1021/Ja00102A032 |
0.495 |
|
1993 |
Nahm K, Li Y, Evanseck JD, Houk KN, Foote CS. Structures and energies of intermediates in the reactions of singlet oxygen with organic phosphines and sulfides Journal of the American Chemical Society. 115: 4879-4884. DOI: 10.1021/Ja00064A057 |
0.434 |
|
1993 |
Thomas BE, Evanseck JD, Houk KN. Electrocyclic reactions of 1-substituted 1,3,5,7-octatetraenes. An ab initio molecular orbital study of torquoselectivity in eight-electron electrocyclizations Journal of the American Chemical Society. 115: 4165-4169. DOI: 10.1021/Ja00063A039 |
0.438 |
|
1993 |
Thomas BE, Evanseck JD, Houk KN. Transition Structures of the Electrocyclic Reactions ofcis,cis,cis-1,3,5-Cyclooctatriene Israel Journal of Chemistry. 33: 287-293. DOI: 10.1002/Ijch.199300035 |
0.401 |
|
1992 |
Karplus M, Evanseck JD, Joseph D, Bash PA, Field MJ. Simulation analysis of triose phosphate isomerase: Conformational transition and catalysis Faraday Discussions. 93: 239-248. PMID 1290934 DOI: 10.1039/Fd9929300239 |
0.656 |
|
1992 |
Houk KN, Li Y, Evanseck JD. Transition Structures of Hydrocarbon Pericyclic Reactions Angewandte Chemie International Edition in English. 31: 682-708. DOI: 10.1002/Anie.199206821 |
0.449 |
|
1992 |
Houk KN, Li Y, Evanseck JD. Übergangsstrukturen in pericyclischen Reaktionen von Kohlenwasserstoffen Angewandte Chemie. 104: 711-739. DOI: 10.1002/Ange.19921040606 |
0.351 |
|
1990 |
Evanseck JD, Mareda J, Houk KN. Theoretical investigation of intramolecular singlet carbene 1,4- and 1,2-cycloadditions Journal of the American Chemical Society. 112: 73-80. DOI: 10.1021/Ja00157A012 |
0.418 |
|
1990 |
Evanseck JD, Houk KN. Theoretical predictions of activation energies for 1,2-hydrogen shifts in singlet carbenes The Journal of Physical Chemistry. 94: 5518-5523. DOI: 10.1021/J100377A020 |
0.406 |
|
1987 |
Evanseck JD, Blake JF, Jorgensen WL. Ab initio study of the SN2 reactions of hydroxide and hydroperoxide with chloromethane Journal of the American Chemical Society. 109: 2349-2353. DOI: 10.1021/Ja00242A018 |
0.462 |
|
1987 |
EVANSECK JD, BLAKE JF, JORGENSEN WL. ChemInform Abstract: Ab initio Study of the SN2 Reactions of OH- and OOH- with CH3Cl Cheminform. 18. DOI: 10.1002/chin.198734106 |
0.341 |
|
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