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Results: 1-25/121
Authors:
BARTELS C
KARPLUS M
Citation: C. Bartels et M. Karplus, PROBABILITY-DISTRIBUTIONS FOR COMPLEX-SYSTEMS - ADAPTIVE UMBRELLA SAMPLING OF THE POTENTIAL-ENERGY, JOURNAL OF PHYSICAL CHEMISTRY B, 102(5), 1998, pp. 865-880
Authors:
MACKERELL AD
BASHFORD D
BELLOTT M
DUNBRACK RL
EVANSECK JD
FIELD MJ
FISCHER S
GAO J
GUO H
HA S
JOSEPHMCCARTHY D
KUCHNIR L
KUCZERA K
LAU FTK
MATTOS C
MICHNICK S
NGO T
NGUYEN DT
PRODHOM B
REIHER WE
ROUX B
SCHLENKRICH M
SMITH JC
STOTE R
STRAUB J
WATANABE M
WIORKIEWICZKUCZERA J
YIN D
KARPLUS M
Citation: Ad. Mackerell et al., ALL-ATOM EMPIRICAL POTENTIAL FOR MOLECULAR MODELING AND DYNAMICS STUDIES OF PROTEINS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(18), 1998, pp. 3586-3616
Authors:
DOBSON CM
SALI A
KARPLUS M
Citation: Cm. Dobson et al., PROTEIN-FOLDING - A PERSPECTIVE FROM THEORY AND EXPERIMENT, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 37(7), 1998, pp. 868-893
Authors:
PETRELLA RJ
LAZARIDIS T
KARPLUS M
Citation: Rj. Petrella et al., PROTEIN SIDE-CHAIN CONFORMER PREDICTION - A TEST OF THE ENERGY FUNCTION, Folding & design, 3(5), 1998, pp. 353-377
Authors:
DINNER AR
KARPLUS M
Citation: Ar. Dinner et M. Karplus, A METASTABLE STATE IN FOLDING SIMULATIONS OF A PROTEIN MODEL, Nature structural biology, 5(3), 1998, pp. 236-241
Authors:
CAVES LSD
EVANSECK JD
KARPLUS M
Citation: Lsd. Caves et al., LOCALLY ACCESSIBLE CONFORMATIONS OF PROTEINS - MULTIPLE MOLECULAR-DYNAMICS SIMULATIONS OF CRAMBIN, Protein science, 7(3), 1998, pp. 649-666
Authors:
VANVLIJMEN HWT
SCHAEFER M
KARPLUS M
Citation: Hwt. Vanvlijmen et al., IMPROVING THE ACCURACY OF PROTEIN PK(A) CALCULATIONS - CONFORMATIONALAVERAGING VERSUS THE AVERAGE STRUCTURE, Proteins, 33(2), 1998, pp. 145-158
Authors:
DINNER AR
SO SS
KARPLUS M
Citation: Ar. Dinner et al., USE OF QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS TO PREDICT THE FOLDING ABILITY OF MODEL PROTEINS, Proteins, 33(2), 1998, pp. 177-203
Authors:
MA JP
KARPLUS M
Citation: Jp. Ma et M. Karplus, THE ALLOSTERIC MECHANISM OF THE CHAPERONIN GROEL - A DYNAMIC ANALYSIS, Proceedings of the National Academy of Sciences of the United Statesof America, 95(15), 1998, pp. 8502-8507
Authors:
MARTIRENOM NA
STOTE RH
QUEROL E
AVILES FX
KARPLUS M
Citation: Na. Martirenom et al., REFOLDING OF POTATO CARBOXYPEPTIDASE INHIBITOR BY MOLECULAR-DYNAMICS SIMULATIONS WITH DISULFIDE BOND CONSTRAINTS, Journal of Molecular Biology, 284(1), 1998, pp. 145-172
Authors:
ARCHONTIS G
SIMONSON T
MORAS D
KARPLUS M
Citation: G. Archontis et al., SPECIFIC AMINO-ACID RECOGNITION BY ASPARTYL-TRANSFER-RNA SYNTHETASE STUDIED BY FREE-ENERGY SIMULATIONS, Journal of Molecular Biology, 275(5), 1998, pp. 823-846
Authors:
VANVLIJMEN HWT
CURRY S
SCHAEFER M
KARPLUS M
Citation: Hwt. Vanvlijmen et al., TITRATION CALCULATIONS OF FOOT-AND-MOUTH-DISEASE VIRUS CAPSIDS AND THEIR STABILITIES AS A FUNCTION OF PH, Journal of Molecular Biology, 275(2), 1998, pp. 295-308
Authors:
STULTZ CM
KARPLUS M
Citation: Cm. Stultz et M. Karplus, ON THE POTENTIAL SURFACE OF THE LOCALLY ENHANCED SAMPLING APPROXIMATION, The Journal of chemical physics, 109(20), 1998, pp. 8809-8815
TEMPERATURE-DEPENDENCE OF THE FOLDING RATE IN A SIMPLE PROTEIN MODEL - SEARCH FOR A GLASS-TRANSITION
Authors:
GUTIN A
SALI A
ABKEVICH V
KARPLUS M
SHAKHNOVICH EI
Citation: A. Gutin et al., TEMPERATURE-DEPENDENCE OF THE FOLDING RATE IN A SIMPLE PROTEIN MODEL - SEARCH FOR A GLASS-TRANSITION, The Journal of chemical physics, 108(15), 1998, pp. 6466-6483
Authors:
SCHAEFER M
SOMMER M
KARPLUS M
Citation: M. Schaefer et al., PH-DEPENDENCE OF PROTEIN STABILITY - ABSOLUTE ELECTROSTATIC FREE-ENERGY DIFFERENCES BETWEEN CONFORMATIONS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(9), 1997, pp. 1663-1683
Authors:
SIMONSON T
ARCHONTIS G
KARPLUS M
Citation: T. Simonson et al., CONTINUUM TREATMENT OF LONG-RANGE INTERACTIONS IN FREE-ENERGY CALCULATIONS - APPLICATION TO PROTEIN-LIGAND BINDING, JOURNAL OF PHYSICAL CHEMISTRY B, 101(41), 1997, pp. 8349-8362
Authors:
KARPLUS M
Citation: M. Karplus, THE LEVINTHAL PARADOX - YESTERDAY AND TODAY, Folding & design, 2(4), 1997, pp. 69-75
Authors:
VITKUP D
PETSKO GA
KARPLUS M
Citation: D. Vitkup et al., A COMPARISON BETWEEN MOLECULAR-DYNAMICS AND X-RAY RESULTS FOR DISSOCIATED CO IN MYOGLOBIN, Nature structural biology, 4(3), 1997, pp. 202-208
Authors:
LAZARIDIS T
LEE I
KARPLUS M
Citation: T. Lazaridis et al., DYNAMICS AND UNFOLDING PATHWAYS OF A HYPERTHERMOPHILIC AND A MESOPHILIC RUBREDOXIN, Protein science, 6(12), 1997, pp. 2589-2605
Authors:
MULHOLLAND AJ
KARPLUS M
Citation: Aj. Mulholland et M. Karplus, SUBSTRATE-BINDING AND CATALYSIS IN LYSOZYME - CRYSTALLOGRAPHIC AND SIMULATION INVESTIGATIONS, The FASEB journal, 11(9), 1997, pp. 2673-2673
Authors:
JOSEPHMCCARTHY D
HOGLE JM
KARPLUS M
Citation: D. Josephmccarthy et al., USE OF THE MULTIPLE COPY SIMULTANEOUS SEARCH (MCSS) METHOD TO DESIGN A NEW CLASS OF PICORNAVIRUS CAPSID BINDING-DRUGS, Proteins, 29(1), 1997, pp. 32-58
Authors:
BUCK M
KARPLUS M
Citation: M. Buck et M. Karplus, HOW HYDROGEN-BONDS BREAK - A MOLECULAR-DYNAMICS STUDY OF FLUCTUATIONSAND UNFOLDING EVENTS IN HUMAN LYSOZYME, Protein engineering, 10, 1997, pp. 22-22
Authors:
CAFLISCH A
FISCHER S
KARPLUS M
Citation: A. Caflisch et al., DOCKING BY MONTE-CARLO MINIMIZATION WITH A SOLVATION CORRECTION - APPLICATION TO AN FKBP-SUBSTRATE COMPLEX, Journal of computational chemistry, 18(6), 1997, pp. 723-743
Authors:
BARTELS C
KARPLUS M
Citation: C. Bartels et M. Karplus, MULTIDIMENSIONAL ADAPTIVE UMBRELLA SAMPLING - APPLICATIONS TO MAIN-CHAIN AND SIDE-CHAIN PEPTIDE CONFORMATIONS, Journal of computational chemistry, 18(12), 1997, pp. 1450-1462
Authors:
FRILING R
ROSEN SD
MONOS T
KARPLUS M
YASSUR Y
Citation: R. Friling et al., RETINOPATHY OF PREMATURITY IN MULTIPLE-GESTATION, VERY-LOW-BIRTH-WEIGHT INFANTS, Journal of pediatric ophthalmology and strabismus, 34(2), 1997, pp. 96-100