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Results: 26-50/91
Authors:
MARRONE TJ
RESAT H
HODGE CN
MCCAMMON JA
Citation: Tj. Marrone et al., HIV PROTEASE SOLVATION, Biophysical journal, 72(2), 1997, pp. 467-467
Authors:
WESTCOTT TP
MCCAMMON JA
Citation: Tp. Westcott et Ja. Mccammon, THE SIMULATION OF SUPERCOILED DNA DYNAMICS USING AN ELASTIC CONTINUUMMODEL, Biophysical journal, 72(2), 1997, pp. 480-480
Authors:
RESAT H
MARRONE TJ
MCCAMMON JA
Citation: H. Resat et al., ENZYME-INHIBITOR ASSOCIATION THERMODYNAMICS - EXPLICIT AND CONTINUUM SOLVENT STUDIES, Biophysical journal, 72(2), 1997, p.
Authors:
RESAT H
MARRONE TJ
MCCAMMON JA
Citation: H. Resat et al., ENZYME-INHIBITOR ASSOCIATION THERMODYNAMICS - EXPLICIT AND CONTINUUM SOLVENT STUDIES, Biophysical journal, 72(2), 1997, pp. 522-532
Authors:
ELCOCK AH
HUBER GA
MCCAMMON JA
Citation: Ah. Elcock et al., ELECTROSTATIC CHANNELING OF SUBSTRATES BETWEEN ENZYME ACTIVE-SITES - COMPARISON OF SIMULATION AND EXPERIMENT, Biochemistry, 36(51), 1997, pp. 16049-16058
Authors:
GIBAS CJ
SUBRAMANIAM S
MCCAMMON JA
BRADEN BC
POLJAK RJ
Citation: Cj. Gibas et al., PH-DEPENDENCE OF ANTIBODY LYSOZYME COMPLEXATION/, Biochemistry, 36(50), 1997, pp. 15599-15614
Authors:
WLODEK ST
CLARK TW
SCOTT LR
MCCAMMON JA
Citation: St. Wlodek et al., MOLECULAR-DYNAMICS OF ACETYLCHOLINESTERASE DIMER COMPLEXED WITH TACRINE, Journal of the American Chemical Society, 119(40), 1997, pp. 9513-9522
Authors:
KIRCHHOFF PD
DUTASTA JP
COLLET A
MCCAMMON JA
Citation: Pd. Kirchhoff et al., STRUCTURAL FLUCTUATIONS OF A CRYPTOPHANE-TETRAMETHYLAMMONIUM HOST-GUEST SYSTEM - A MOLECULAR-DYNAMICS SIMULATION, Journal of the American Chemical Society, 119(34), 1997, pp. 8015-8022
Authors:
COSTANTECRASSOUS J
MARRONE TJ
BRIGGS JM
MCCAMMON JA
COLLET A
Citation: J. Costantecrassous et al., ABSOLUTE-CONFIGURATION OF BROMOCHLOROFLUOROMETHANE FROM MOLECULAR-DYNAMICS SIMULATION OF ITS ENANTIOSELECTIVE COMPLEXATION BY CRYPTOPHANE-C, Journal of the American Chemical Society, 119(16), 1997, pp. 3818-3823
Authors:
BRIGGS JM
MARRONE TJ
MCCAMMON JA
Citation: Jm. Briggs et al., COMPUTATIONAL SCIENCE NEW HORIZONS AND RELEVANCE TO PHARMACEUTICAL DESIGN, Trends in cardiovascular medicine, 6(6), 1996, pp. 198-204
Authors:
ELAMRANI S
BERRY MB
PHILLIPS GN
MCCAMMON JA
Citation: S. Elamrani et al., STUDY OF GLOBAL MOTIONS IN PROTEINS BY WEIGHTED MASSES MOLECULAR-DYNAMICS - ADENYLATE KINASE AS A TEST-CASE, Proteins, 25(1), 1996, pp. 79-88
Authors:
ANTOSIEWICZ J
BRIGGS JM
ELCOCK AH
GILSON MK
MCCAMMON JA
Citation: J. Antosiewicz et al., COMPUTING IONIZATION STATES OF PROTEINS WITH A DETAILED CHARGE MODEL, Journal of computational chemistry, 17(14), 1996, pp. 1633-1644
Authors:
ANTOSIEWICZ J
BRIGGS JM
MCCAMMON JA
Citation: J. Antosiewicz et al., ORIENTATIONAL STEERING IN ENZYME-SUBSTRATE ASSOCIATION - IONIC-STRENGTH DEPENDENCE OF HYDRODYNAMIC TORQUE EFFECTS, European biophysics journal, 24(3), 1996, pp. 137-141
Authors:
BALA P
GROCHOWSKI P
LESYNG B
MCCAMMON JA
Citation: P. Bala et al., QUANTUM-CLASSICAL MOLECULAR-DYNAMICS (QCMD) OF ENZYMATIC PROCESSES, Progress in Biophysics and Molecular Biology, 65, 1996, pp. 325-325
Authors:
ILIN A
BAGHERI B
SCOTT LR
MCCAMMON JA
ILIN VP
Citation: A. Ilin et al., PARALLELIZING OF PRECONDITIONED CONJUGATE GRADIENTS FOR POISSON-BOLTZMANN CALCULATION, Zeitschrift fur angewandte Mathematik und Mechanik, 76, 1996, pp. 429-430
Authors:
MCCAMMON JA
Citation: Ja. Mccammon, A SPEED LIMIT FOR PROTEIN-FOLDING, Proceedings of the National Academy of Sciences of the United Statesof America, 93(21), 1996, pp. 11426-11427
Authors:
BALA P
GROCHOWSKI P
LESYNG B
MCCAMMON JA
Citation: P. Bala et al., QUANTUM-CLASSICAL MOLECULAR-DYNAMICS SIMULATIONS OF PROTON-TRANSFER PROCESSES IN MOLECULAR-COMPLEXES AND IN ENZYMES, Journal of physical chemistry, 100(7), 1996, pp. 2535-2545
Authors:
MARRONE TJ
GILSON MK
MCCAMMON JA
Citation: Tj. Marrone et al., COMPARISON OF CONTINUUM AND EXPLICIT MODELS OF SOLVATION - POTENTIALSOF MEAN FORCE FOR ALANINE DIPEPTIDE, Journal of physical chemistry, 100(5), 1996, pp. 1439-1441
Authors:
RESAT H
MEZEI M
MCCAMMON JA
Citation: H. Resat et al., USE OF THE GRAND-CANONICAL ENSEMBLE IN POTENTIAL OF MEAN FORCE CALCULATIONS, Journal of physical chemistry, 100(4), 1996, pp. 1426-1433
Authors:
POTTER MJ
LUTY B
ZHOU HX
MCCAMMON JA
Citation: Mj. Potter et al., TIME-DEPENDENT RATE COEFFICIENTS FROM BROWNIAN DYNAMICS SIMULATIONS, Journal of physical chemistry, 100(12), 1996, pp. 5149-5154
Authors:
ELCOCK AH
POTTER MJ
MATTHEWS DA
KNIGHTON DR
MCCAMMON JA
Citation: Ah. Elcock et al., ELECTROSTATIC CHANNELING IN THE BIFUNCTIONAL ENZYME DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, Journal of Molecular Biology, 262(3), 1996, pp. 370-374
Authors:
MARRONE TJ
STRAATSMA TP
BRIGGS JM
WILSON DK
QUIOCHO FA
MCCAMMON JA
Citation: Tj. Marrone et al., THEORETICAL-STUDY OF INHIBITION OF ADENOSINE-DEAMINASE BY (8R)-COFORMYCIN AND (8R)-DEOXYCOFORMYCIN, Journal of medicinal chemistry, 39(1), 1996, pp. 277-284
Authors:
RESAT H
MCCAMMON JA
Citation: H. Resat et Ja. Mccammon, FREE-ENERGY SIMULATIONS - CORRECTING FOR ELECTROSTATIC CUTOFFS BY USEOF THE POISSON EQUATION, The Journal of chemical physics, 104(19), 1996, pp. 7645-7651
Authors:
GROCHOWSKI P
LESYNG B
BALA P
MCCAMMON JA
Citation: P. Grochowski et al., DENSITY-FUNCTIONAL BASED PARAMETRIZATION OF A VALENCE-BOND METHOD ANDITS APPLICATIONS IN QUANTUM-CLASSICAL MOLECULAR-DYNAMICS SIMULATIONS OF ENZYMATIC-REACTIONS, International journal of quantum chemistry, 60(6), 1996, pp. 1143-1164
Authors:
ANTOSIEWICZ J
WLODEK ST
MCCAMMON JA
Citation: J. Antosiewicz et al., ACETYLCHOLINESTERASE - ROLE OF THE ENZYMES CHARGE-DISTRIBUTION IN STEERING CHARGED LIGANDS TOWARD THE ACTIVE-SITE, Biopolymers, 39(1), 1996, pp. 85-94