Gordon Crippen - Publications

Affiliations: 
University of Michigan, Ann Arbor, Ann Arbor, MI 
Area:
Pharmaceutical Chemistry, Molecular Biology, Biochemistry

105 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Crippen GM. An alternative approach to distance geometry using L∞ distances Discrete Applied Mathematics. 197: 20-26. DOI: 10.1016/j.dam.2014.08.019  1
2013 Dahan A, Wolk O, Kim YH, Ramachandran C, Crippen GM, Takagi T, Bermejo M, Amidon GL. Purely in silico BCS classification: science based quality standards for the world's drugs. Molecular Pharmaceutics. 10: 4378-90. PMID 24094040 DOI: 10.1021/mp400485k  1
2013 Crippen GM. Distance geometry for realistic molecular conformations Distance Geometry: Theory, Methods, and Applications. 315-328. DOI: 10.1007/978-1-4614-5128-0_15  1
2010 Crippen GM, Rousaki A, Revington M, Zhang Y, Zuiderweg ER. SAGA: rapid automatic mainchain NMR assignment for large proteins. Journal of Biomolecular Nmr. 46: 281-98. PMID 20232231 DOI: 10.1007/s10858-010-9403-2  1
2009 Lee AC, Crippen GM. Predicting pKa. Journal of Chemical Information and Modeling. 49: 2013-33. PMID 19702243 DOI: 10.1021/ci900209w  1
2009 Crippen GM. A statistical measure of association and a series expansion of chain conformations. Computational Biology and Chemistry. 33: 357-60. PMID 19699687 DOI: 10.1016/j.compbiolchem.2009.07.011  1
2008 Lee AC, Yu JY, Crippen GM. pKa prediction of monoprotic small molecules the SMARTS way. Journal of Chemical Information and Modeling. 48: 2042-53. PMID 18826209 DOI: 10.1021/ci8001815  1
2008 Lee AC, Shedden K, Rosania GR, Crippen GM. Data mining the NCI60 to predict generalized cytotoxicity. Journal of Chemical Information and Modeling. 48: 1379-88. PMID 18588283 DOI: 10.1021/ci800097k  1
2008 Crippen GM. Chirality descriptors in QSAR Current Computer-Aided Drug Design. 4: 259-264. DOI: 10.2174/157340908786786001  1
2007 Wang H, Klinginsmith J, Dong X, Lee AC, Guha R, Wu Y, Crippen GM, Wild DJ. Chemical data mining of the NCI human tumor cell line database. Journal of Chemical Information and Modeling. 47: 2063-76. PMID 17915856 DOI: 10.1021/ci700141x  1
2007 Rosania GR, Crippen G, Woolf P, States D, Shedden K. A cheminformatic toolkit for mining biomedical knowledge. Pharmaceutical Research. 24: 1791-802. PMID 17385012 DOI: 10.1007/s11095-007-9285-5  1
2006 Chen Y, Crippen GM. Fold recognition via a tree. Journal of Computational Biology : a Journal of Computational Molecular Cell Biology. 13: 1565-73. PMID 17147479 DOI: 10.1089/cmb.2006.13.1565  1
2006 Chen Y, Crippen GM. An iterative refinement algorithm for consistency based multiple structural alignment methods. Bioinformatics (Oxford, England). 22: 2087-93. PMID 16809393 DOI: 10.1093/bioinformatics/btl351  1
2005 Wang J, Wang T, Zuiderweg ER, Crippen GM. CASA: an efficient automated assignment of protein mainchain NMR data using an ordered tree search algorithm. Journal of Biomolecular Nmr. 33: 261-79. PMID 16341754 DOI: 10.1007/s10858-005-4079-8  1
2005 Chen Y, Crippen GM. A novel approach to structural alignment using realistic structural and environmental information. Protein Science : a Publication of the Protein Society. 14: 2935-46. PMID 16260755 DOI: 10.1110/ps.051428205  1
2005 Yang VC, Naik SS, Song H, Dombkowski AA, Crippen G, Liang JF. Construction and characterization of a t-PA mutant for use in ATTEMPTS: a drug delivery system for achieving targeted thrombolysis. Journal of Controlled Release : Official Journal of the Controlled Release Society. 110: 164-76. PMID 16260060 DOI: 10.1016/j.jconrel.2005.09.027  0.84
2005 Crippen GM. Recognizing protein folds by cluster distance geometry. Proteins. 60: 82-9. PMID 15861390 DOI: 10.1002/prot.20488  1
2004 Kim I, Crippen GM, Amidon GL. Structure and specificity of a human valacyclovir activating enzyme: a homology model of BPHL. Molecular Pharmaceutics. 1: 434-46. PMID 16028355  1
2004 Bai JP, Utis A, Crippen G, He HD, Fischer V, Tullman R, Yin HQ, Hsu CP, Jiang L, Hwang KK. Use of classification regression tree in predicting oral absorption in humans. Journal of Chemical Information and Computer Sciences. 44: 2061-9. PMID 15554676 DOI: 10.1021/ci040023n  1
2004 Crippen GM. Statistical mechanics of protein folding by cluster distance geometry. Biopolymers. 75: 278-89. PMID 15378485 DOI: 10.1002/bip.20118  1
2004 Wang J, Crippen GM. Statistical mechanics of protein folding with separable energy functions. Biopolymers. 74: 214-20. PMID 15150796 DOI: 10.1002/bip.20077  1
2004 Crippen GM. How to describe chirality and conformational flexibility. Methods in Molecular Biology (Clifton, N.J.). 275: 427-38. PMID 15141124 DOI: 10.1385/1-59259-802-1:427  1
2004 Crippen GM. Cluster distance geometry of polypeptide chains. Journal of Computational Chemistry. 25: 1305-12. PMID 15139043 DOI: 10.1002/jcc.20056  1
2004 Chhajer M, Crippen GM. Toward correct protein folding potentials Journal of Biological Physics. 30: 171-185. DOI: 10.1023/B:JOBP.0000035854.68334.dd  1
2003 Wildman SA, Crippen GM. Validation of DAPPER for 3D QSAR: conformational search and chirality metric. Journal of Chemical Information and Computer Sciences. 43: 629-36. PMID 12653531 DOI: 10.1021/ci0256081  1
2003 Crippen GM. Series approximation of protein structure and constructing conformation space Polymer. 44: 4373-4379. DOI: 10.1016/S0032-3861(03)00131-9  1
2002 Wildman SA, Crippen GM. Three-dimensional molecular descriptors and a novel QSAR method. Journal of Molecular Graphics & Modelling. 21: 161-70. PMID 12463634 DOI: 10.1016/S1093-3263(02)00147-X  1
2002 Chhajer M, Crippen GM. A protein folding potential that places the native states of a large number of proteins near a local minimum. Bmc Structural Biology. 2: 4. PMID 12165098  1
2002 Crippen GM, Chhajer M. Lattice models of protein folding permitting disordered native states Journal of Chemical Physics. 116: 2261-2268. DOI: 10.1063/1.1433745  1
2001 Crippen GM. Constructing smooth potential functions for protein folding Journal of Molecular Graphics and Modelling. 19: 87-93. PMID 11381534 DOI: 10.1016/S1093-3263(00)00132-7  1
2001 Wildman SA, Crippen GM. Evaluation of ligand overlap by atomic parameters. Journal of Chemical Information and Computer Sciences. 41: 446-50. PMID 11277735 DOI: 10.1021/ci0000880  1
2001 Crippen GM. A Gaussian statistical mechanical model for the equilibrium thermodynamics of barnase folding Journal of Molecular Biology. 306: 565-573. PMID 11178914 DOI: 10.1006/jmbi.2000.4401  1
2000 Dombkowski AA, Crippen GM. Disulfide recognition in an optimized threading potential. Protein Engineering. 13: 679-89. PMID 11112506  1
2000 Ohkubo YZ, Crippen GM. Potential energy function for continuous state models of globular proteins. Journal of Computational Biology : a Journal of Computational Molecular Cell Biology. 7: 363-79. PMID 11108468 DOI: 10.1089/106652700750050835  1
2000 Crippen GM. Enumeration of cubic lattice walks by contact class Journal of Chemical Physics. 112: 11065-11068. DOI: 10.1063/1.481746  1
1999 Wildman SA, Crippen GM. Prediction of physicochemical parameters by atomic contributions Journal of Chemical Information and Computer Sciences. 39: 868-873.  1
1999 Crippen GM. VRI: 3D QSAR at variable resolution Journal of Computational Chemistry. 20: 1577-1585.  1
1998 Parks CA, Crippen GM, Topliss JG. The measurement of molecular diversity by receptor site interaction simulation Journal of Computer-Aided Molecular Design. 12: 441-449. PMID 9834906  1
1998 Crippen GM, Ohkubo YZ. Statistical mechanics of protein folding by exhaustive enumeration. Proteins. 32: 425-37. PMID 9726414 DOI: 10.1002/(SICI)1097-0134(19980901)32:4<425::AID-PROT3>3.0.CO;2-F  1
1997 Crippen GM. Validation of EGSITE2, a mixed integer program for deducing objective site models from experimental binding data Journal of Medicinal Chemistry. 40: 3161-3172. PMID 9379435 DOI: 10.1021/jm970211n  1
1997 Crippen GM. Protein folding and fold recognition for square lattice models Folding and Design. 2: S58-S61. PMID 9269570  1
1997 Schnitker J, Gopalaswamy R, Crippen GM. Objective models for steroid binding sites of human globulins Journal of Computer-Aided Molecular Design. 11: 93-110. PMID 9139117  1
1996 Crippen GM, Maiorov VN. (Probably) all possible protein folds at low resolution Pacific Symposium On Biocomputing. Pacific Symposium On Biocomputing. 160-178. PMID 9390230  1
1996 Crippen GM. Failures of inverse folding and threading with gapped alignment Proteins: Structure, Function and Genetics. 26: 167-171. PMID 8916224 DOI: 10.1002/(SICI)1097-0134(199610)26:2<167::AID-PROT6>3.0.CO;2-D  1
1996 Crippen GM. Easily searched protein folding potentials Journal of Molecular Biology. 260: 467-475. PMID 8757807 DOI: 10.1006/jmbi.1996.0414  1
1995 Crippen GM, Maiorov VN. How many protein folding motifs are there? Journal of Molecular Biology. 252: 144-151. PMID 7666426 DOI: 10.1006/jmbi.1995.0481  1
1995 Maiorov VN, Crippen GM. Size-independent comparison of protein three-dimensional structures Proteins: Structure, Function and Genetics. 22: 273-283. PMID 7479700 DOI: 10.1002/prot.340220308  1
1994 Maiorov VN, Crippen GM. Significance of root-mean-square deviation in comparing three-dimensional structures of globular proteins Journal of Molecular Biology. 235: 625-634. PMID 8289285 DOI: 10.1006/jmbi.1994.1017  1
1994 Maiorov VN, Crippen GM. Learning about protein folding via potential functions Proteins: Structure, Function and Genetics. 20: 167-173. PMID 7846026 DOI: 10.1002/prot.340200206  1
1993 Bradley MP, Crippen GM. Voronoi modeling: The binding of triazines and pyrimidines to L. casei dihydrofolate reductase Journal of Medicinal Chemistry. 36: 3171-3177. PMID 8230104  1
1993 Crippen GM, Bradley MP, Richardson WW. Why are binding-site models more complicated than molecules? Perspectives in Drug Discovery and Design. 1: 321-328. DOI: 10.1007/BF02174532  1
1993 Srivastava S, Crippen GM. Analysis of cocaine receptor site ligand binding by three-dimensional voronoi site modeling approach Journal of Medicinal Chemistry®. 36: 3572-3579.  1
1991 Crippen GM. Prediction of protein folding from amino acid sequence over discrete conformation spaces Biochemistry. 30: 4232-4237. PMID 2021616  1
1991 Smellie AS, Crippen GM, Richards WG. Fast drug-receptor mapping by site-directed distances: A novel method of predicting new pharmacological leads Journal of Chemical Information and Computer Science®. 31: 386-392. PMID 1939396 DOI: 10.1021/ci00003a004  1
1991 Crippen GM. Voronoi binding site models Nida Research Monograph Series. 7-20. PMID 1754005  1
1991 Snow ME, Crippen GM. Dimensional oscillation. A fast variation of energy embedding gives good results with the AMBER potential energy function International Journal of Peptide and Protein Research. 38: 161-168. PMID 1723719  1
1991 Crippen GM. Chemical distance geometry: Current realization and future projection Journal of Mathematical Chemistry. 6: 307-324. DOI: 10.1007/BF01192588  1
1991 Seetharamulu P, Crippen GM. A potential function for protein folding Journal of Mathematical Chemistry. 6: 91-110. DOI: 10.1007/BF01192576  1
1990 Crippen GM, Snow ME. A 1.8 Å resolution potential function for protein folding Biopolymers. 29: 1479-1489. PMID 2361157 DOI: 10.1002/bip.360291014  1
1990 Boulu LG, Crippen GM, Barton HA, Kwon H, Marletta MA. Voronoi binding site model of a polycyclic aromatic hydrocarbon binding protein. Journal of Medicinal Chemistry. 33: 771-5. PMID 2299644  1
1990 Crippen GM, Havel TF. Global energy minimization by rotational energy embedding Journal of Chemical Information and Computer Sciences. 30: 222-227. PMID 2211885  1
1990 Ghose AK, Crippen GM. Modeling the benzodiazepine receptor binding site by the general three-dimensional structure-directed quantitative structure-activity relationship method REMOTEDISC. Molecular Pharmacology. 37: 725-34. PMID 2160062  1
1990 Mosberg HI, Sobczyk-Kojiro K, Subramanian P, Crippen GM, Ramalingam K, Woodard RW. Combined use of stereospecific deuteration, NMR, distance geometry, and energy minimization for the conformational analysis of the highly δ opioid receptor selective peptide [D-Pen2,D-Pen5]enkephalin Journal of the American Chemical Society. 112: 822-829.  1
1989 Boulu L, Crippen GM. Voronoi receptor site models Progress in Clinical and Biological Research. 289: 267-277. PMID 2726800  1
1989 Ghose AK, Crippen GM, Revankar GR, McKernan PA, Smee DF, Robins RK. Analysis of the in vitro antiviral activity of certain ribonucleosides against parainfluenza virus using a novel computer aided receptor modeling procedure. Journal of Medicinal Chemistry. 32: 746-56. PMID 2539476  1
1987 Ghose AK, Crippen GM. Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions. Journal of Chemical Information and Computer Sciences. 27: 21-35. PMID 3558506  1
1987 Crippen GM. Why energy embedding works Journal of Physical Chemistry. 91: 6341-6343.  1
1985 Crippen GM, Viswanadhan VN. Sidechain and backbone potential function for conformational analysis of proteins International Journal of Peptide and Protein Research. 25: 487-509. PMID 4019030  1
1985 Ghose AK, Crippen GM. Use of physicochemical parameters in distance geometry and related three-dimensional quantitative structure-activity relationships: a demonstration using Escherichia coli dihydrofolate reductase inhibitors. Journal of Medicinal Chemistry. 28: 333-46. PMID 3882967  1
1985 Crippen GM. Deduction of binding site structure from ligand binding data Annals of the New York Academy of Sciences. 1-11.  1
1984 Ghose AK, Crippen GM. General distance geometry three-dimensional receptor model for diverse dihydrofolate reductase inhibitors. Journal of Medicinal Chemistry. 27: 901-14. PMID 6737433  1
1984 Crippen GM, Viswanadhan VN. A potential function for conformational analysis of proteins International Journal of Peptide and Protein Research. 24: 279-296. PMID 6500807  1
1983 Ghose AK, Crippen GM. Combined distance geometry analysis of dihydrofolate reductase inhibition by quinazolines and triazines. Journal of Medicinal Chemistry. 26: 996-1010. PMID 6864738  1
1983 Havel TF, Kuntz ID, Crippen GM. The combinatorial distance geometry method for the calculation of molecular conformation. I. A new approach to an old problem Journal of Theoretical Biology. 104: 359-381. PMID 6656266 DOI: 10.1016/0022-5193(83)90112-1  1
1983 Havel TF, Crippen GM, Kuntz ID, Blaney JM. The combinatorial distance geometry method for the calculation of molecular conformation II. Sample problems and computational statistics Journal of Theoretical Biology. 104: 383-400. PMID 6197591 DOI: 10.1016/0022-5193(83)90113-3  1
1982 Crippen GM. Energy embedding of trypsin inhibitor Biopolymers - Peptide Science Section. 21: 1933-1943. PMID 7171722  1
1982 Ghose AK, Crippen GM. Quantitative structure-activity relationship by distance geometry: quinazolines as dihydrofolate reductase inhibitors. Journal of Medicinal Chemistry. 25: 892-9. PMID 7120278  1
1982 Crippen GM. Distance geometry analysis of the benzodiazepine binding site Molecular Pharmacology. 22: 11-19. PMID 6289067  1
1981 Crippen GM. Quantitative structure-activity relationships by distance geometry: Thyroxine binding site Journal of Medicinal Chemistry. 24: 198-203. PMID 7205888  1
1981 Crippen GM, Oppenheimer NJ, Connolly ML. Distance geometry analysis of the N.M.R. evidence on the solution conformation of bleomycin International Journal of Peptide and Protein Research. 17: 156-169. PMID 6164658  1
1981 Oobatake M, Crippen GM. Residue-residue potential function for conformational analysis of proteins Journal of Physical Chemistry. 85: 1187-1197.  1
1980 Crippen GM. Quantitative structure-activity relationships by distance geometry: Systematic analysis of dihydrofolate reductase inhibitors Journal of Medicinal Chemistry. 23: 599-606. PMID 7392027  1
1980 Connolly ML, Kuntz ID, Crippen GM. Linked and threaded loops in proteins Biopolymers - Peptide Science Section. 19: 1167-1182. PMID 7378549  1
1980 Kuntz ID, Crippen GM. A computer model for the 30S ribosome subunit Biophysical Journal. 32: 677-695. PMID 7020786  1
1979 Crippen GM. Distance geometry approach to rationalizing binding data Journal of Medicinal Chemistry. 22: 988-997. PMID 490543  1
1979 Crippen GM. Distance constraints on macromolecular conformation International Journal of Peptide and Protein Research. 13: 320-326. PMID 429105  1
1979 Kuntz ID, Crippen GM. Protein densities International Journal of Peptide and Protein Research. 13: 223-228. PMID 429098  1
1978 Crippen GM. The tree structural organization of proteins Journal of Molecular Biology. 126: 315-332. PMID 745231 DOI: 10.1016/0022-2836(78)90043-8  1
1978 Crippen GM, Kuntz ID. A survey of atom packing in globular proteins International Journal of Peptide and Protein Research. 12: 47-56. PMID 681085  1
1978 Crippen GM, Havel TF. Stable calculation of coordinates from distance information Acta Crystallographica Section A. 34: 282-284. DOI: 10.1107/S0567739478000522  1
1978 Crippen GM. Note rapid calculation of coordinates from distance matrices Journal of Computational Physics. 26: 449-452. DOI: 10.1016/0021-9991(78)90081-5  1
1977 Crippen GM. Correlation of sequence and tertiary structure in globular proteins Biopolymers. 16: 2189-2201. PMID 911996  1
1977 Crippen GM, Kuntz ID. Directional structural features of globular proteins Journal of Theoretical Biology. 66: 47-61. PMID 875421 DOI: 10.1016/0022-5193(77)90311-3  1
1977 Crippen GM. A statistical approach to the calculation of conformation of proteins. 2. The reoxidation of reduced trypsin inhibitor Macromolecules. 10: 25-28. PMID 839859  1
1977 Crippen GM. A statistical approach to the calculation of conformation of proteins. 1. Theory Macromolecules. 10: 21-25. PMID 839858  1
1977 Crippen GM. A novel approach to calculation of conformation: Distance geometry Journal of Computational Physics. 24: 96-107. DOI: 10.1016/0021-9991(77)90112-7  1
1976 Kuntz ID, Crippen GM, Kollman PA, Kimelman D. Calculation of protein tertiary structure Journal of Molecular Biology. 106: 983-994. PMID 978745 DOI: 10.1016/0022-2836(76)90347-8  1
1975 Crippen GM. Topology of globular proteins. II Journal of Theoretical Biology. 51: 495-500. PMID 1142799 DOI: 10.1016/0022-5193(75)90076-4  1
1975 Crippen GM. Global optimization and polypeptide conformation Journal of Computational Physics. 18: 224-231. DOI: 10.1016/0021-9991(75)90030-3  1
1974 Crippen GM, Yang JT. Conformation of N-acetyl-L-alanine-N′-methylamide in 1,2-dichloroethane by circular dichroism and optical rotatory dispersion Journal of Physical Chemistry. 78: 1127-1130.  1
1973 Crippen GM, Scheraga HA. Minimization of polypeptide energy XII. The methods of partial energies and cubic subdivision Journal of Computational Physics. 12: 491-497. DOI: 10.1016/0021-9991(73)90100-9  1
1971 Crippen GM, Scheraga HA. Minimization of polypeptide energy. XI. The method of gentlest ascent Archives of Biochemistry and Biophysics. 144: 462-466. PMID 5569893 DOI: 10.1016/0003-9861(71)90349-3  1
1971 Crippen GM, Scheraga HA. Minimization of polypeptide energy. X. A global search algorithm Archives of Biochemistry and Biophysics. 144: 453-461. PMID 5569892 DOI: 10.1016/0003-9861(71)90348-1  1
1971 McGuire RF, Vanderkooi G, Momany FA, Ingwall RT, Crippen GM, Lotan N, Tuttle RW, Kashuba KL, Scheraga HA. Determination of intermolecular potentials from crystal data. II. Crystal packing with applications to poly(amino acids) Macromolecules. 4: 112-124.  1
1969 Crippen GM, Scheraga HA. Minimization of polypeptide energy. 8. Application of the deflation technique to a dipeptide Proceedings of the National Academy of Sciences of the United States of America. 64: 42-49. PMID 5263023 DOI: 10.1073/pnas.64.1.42  1
Show low-probability matches.