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Results: 1-25/91
Authors:
MARRONE TJ
RESAT H
HODGE CN
CHANG CH
MCCAMMON JA
Citation: Tj. Marrone et al., SOLVATION STUDIES OF DMP323 AND A76928 BOUND TO HIV PROTEASE - ANALYSIS OF WATER SITES USING GRAND-CANONICAL MONTE-CARLO SIMULATIONS, Protein science, 7(3), 1998, pp. 573-579
Authors:
MCCAMMON JA
Citation: Ja. Mccammon, THEORY OF BIOMOLECULAR RECOGNITION, Current opinion in structural biology, 8(2), 1998, pp. 245-249
Authors:
ZHOU HX
WLODEK ST
MCCAMMON JA
Citation: Hx. Zhou et al., CONFORMATION GATING AS A MECHANISM FOR ENZYME SPECIFICITY, Proceedings of the National Academy of Sciences of the United Statesof America, 95(16), 1998, pp. 9280-9283
Authors:
ELCOCK AH
MCCAMMON JA
Citation: Ah. Elcock et Ja. Mccammon, ELECTROSTATIC CONTRIBUTIONS TO THE STABILITY OF HALOPHILIC PROTEINS, Journal of Molecular Biology, 280(4), 1998, pp. 731-748
Authors:
RESAT H
MCCAMMON JA
Citation: H. Resat et Ja. Mccammon, CORRECTING FOR ELECTROSTATIC CUTOFFS IN FREE-ENERGY SIMULATIONS - TOWARD CONSISTENCY BETWEEN SIMULATIONS WITH DIFFERENT CUTOFFS, The Journal of chemical physics, 108(23), 1998, pp. 9617-9623
Authors:
RADIC Z
KIRCHHOFF PD
QUINN DM
MCCAMMON JA
TAYLOR P
Citation: Z. Radic et al., ELECTROSTATIC INFLUENCE ON THE KINETICS OF LIGAND-BINDING TO ACETYLCHOLINESTERASE - DISTINCTIONS BETWEEN ACTIVE-CENTER LIGANDS AND FASCICULIN (VOL 272, PG 23265, 1997), The Journal of biological chemistry, 273(19), 1998, pp. 11986-11986
Authors:
TARA S
ELCOCK AH
KIRCHHOFF PD
BRIGGS JM
RADIC Z
TAYLOR P
MCCAMMON JA
Citation: S. Tara et al., RAPID BINDING OF A CATIONIC ACTIVE-SITE INHIBITOR TO WILD-TYPE AND MUTANT MOUSE ACETYLCHOLINESTERASE - BROWNIAN DYNAMICS SIMULATION INCLUDING DIFFUSION IN THE ACTIVE-SITE GORGE, Biopolymers, 46(7), 1998, pp. 465-474
Authors:
ZHOU HX
BRIGGS JM
TARA S
MCCAMMON JA
Citation: Hx. Zhou et al., CORRELATION BETWEEN RATE OF ENZYME-SUBSTRATE DIFFUSIONAL ENCOUNTER AND AVERAGE BOLTZMANN FACTOR AROUND ACTIVE-SITE, Biopolymers, 45(5), 1998, pp. 355-360
Authors:
SMART JL
MCCAMMON JA
Citation: Jl. Smart et Ja. Mccammon, ANALYSIS OF SYNAPTIC TRANSMISSION IN THE NEUROMUSCULAR-JUNCTION USINGA CONTINUUM FINITE-ELEMENT MODEL, Biophysical journal, 75(4), 1998, pp. 1679-1688
Authors:
BALA P
GROCHOWSKI P
LESYNG B
MCCAMMON JA
Citation: P. Bala et al., QUANTUM DYNAMICS OF PROTON-TRANSFER PROCESSES IN ENZYMATIC-REACTIONS - SIMULATIONS OF PHOSPHOLIPASE A(2), Berichte der Bunsengesellschaft fur Physikalische Chemie, 102(3), 1998, pp. 580-586
Authors:
FOGOLARI F
ESPOSITO G
VIGLINO P
BRIGGS JM
MCCAMMON JA
Citation: F. Fogolari et al., PK(A) SHIFT EFFECTS ON BACKBONE AMIDE BASE-CATALYZED HYDROGEN-EXCHANGE RATES IN PEPTIDES, Journal of the American Chemical Society, 120(15), 1998, pp. 3735-3738
Authors:
ELCOCK AH
MCCAMMON JA
Citation: Ah. Elcock et Ja. Mccammon, CONTINUUM SOLVATION MODEL FOR STUDYING PROTEIN HYDRATION THERMODYNAMICS AT HIGH-TEMPERATURES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(46), 1997, pp. 9624-9634
Authors:
HUBER GA
MCCAMMON JA
Citation: Ga. Huber et Ja. Mccammon, WEIGHTED-ENSEMBLE SIMULATED ANNEALING - FASTER OPTIMIZATION ON HIERARCHICAL ENERGY SURFACES, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 55(4), 1997, pp. 4822-4825
Authors:
WLODEK ST
ANTOSIEWICZ J
MCCAMMON JA
Citation: St. Wlodek et al., PREDICTION OF TITRATION PROPERTIES OF STRUCTURES OF A PROTEIN-DERIVEDFROM MOLECULAR-DYNAMICS TRAJECTORIES, Protein science, 6(2), 1997, pp. 373-382
Authors:
HELMS V
MCCAMMON JA
Citation: V. Helms et Ja. Mccammon, KINASE CONFORMATIONS - A COMPUTATIONAL STUDY OF THE EFFECT OF LIGAND-BINDING, Protein science, 6(11), 1997, pp. 2336-2343
Authors:
MARRONE TJ
BRIGGS JM
MCCAMMON JA
Citation: Tj. Marrone et al., STRUCTURE-BASED DRUG DESIGN - COMPUTATIONAL ADVANCES, Annual review of pharmacology and toxicology, 37, 1997, pp. 71-90
Authors:
SMART JL
MARRONE TJ
MCCAMMON JA
Citation: Jl. Smart et al., CONFORMATIONAL SAMPLING WITH POISSON-BOLTZMANN FORCES AND A STOCHASTIC DYNAMICS MONTE-CARLO METHOD - APPLICATION TO ALANINE DIPEPTIDE, Journal of computational chemistry, 18(14), 1997, pp. 1750-1759
Authors:
BAGINSKI M
RESAT H
MCCAMMON JA
Citation: M. Baginski et al., MOLECULAR-PROPERTIES OF AMPHOTERICIN-B MEMBRANE CHANNEL - A MOLECULAR-DYNAMICS SIMULATION, Molecular pharmacology, 52(4), 1997, pp. 560-570
Authors:
TAYLOR P
ROSS EM
STERNWEIS PC
NEUBIG RR
MCCAMMON JA
Citation: P. Taylor et al., COLLOQUIUM ON SIGNALING AND MOLECULAR-STRUCTURE IN PHARMACOLOGY - (LA-JOLLA, CALIFORNIA, MARCH 11-12, 1997), Molecular pharmacology, 52(1), 1997, pp. 1-5
Authors:
FOGOLARI F
ELCOCK AH
ESPOSITO G
VIGLINO P
BRIGGS JM
MCCAMMON JA
Citation: F. Fogolari et al., ELECTROSTATIC EFFECTS IN HOMEODOMAIN-DNA INTERACTIONS, Journal of Molecular Biology, 267(2), 1997, pp. 368-381
Authors:
RADIC Z
KIRCHHOFF PD
QUINN DM
MCCAMMON JA
TAYLOR P
Citation: Z. Radic et al., ELECTROSTATIC INFLUENCE ON THE KINETICS OF LIGAND-BINDING TO ACETYLCHOLINESTERASE - DISTINCTIONS BETWEEN ACTIVE-CENTER LIGANDS AND FASCICULIN, The Journal of biological chemistry, 272(37), 1997, pp. 23265-23277
Authors:
ANTOSIEWICZ J
MILLER MD
KRAUSE KL
MCCAMMON JA
Citation: J. Antosiewicz et al., SIMULATION OF ELECTROSTATIC AND HYDRODYNAMIC PROPERTIES OF SERRATIA ENDONUCLEASE, Biopolymers, 41(4), 1997, pp. 443-450
Authors:
ALLISON SA
POTTER M
MCCAMMON JA
Citation: Sa. Allison et al., MODELING THE ELECTROPHORESIS OF LYSOZYME .2. INCLUSION OF ION RELAXATION, Biophysical journal, 73(1), 1997, pp. 133-140
Authors:
GILSON MK
GIVEN JA
BUSH BL
MCCAMMON JA
Citation: Mk. Gilson et al., THE STATISTICAL-THERMODYNAMIC BASIS FOR COMPUTATION OF BINDING AFFINITIES - A CRITICAL-REVIEW, Biophysical journal, 72(3), 1997, pp. 1047-1069
Authors:
ELCOCK AH
MCCAMMON JA
Citation: Ah. Elcock et Ja. Mccammon, ELECTROSTATIC CHANNELING OF SUBSTRATES BETWEEN ENZYME ACTIVE-SITES, Biophysical journal, 72(2), 1997, pp. 391-391