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Results: 26-50/56
Authors:
Wlodek, ST
Shen, TY
McCammon, JA
Citation: St. Wlodek et al., Electrostatic steering of substrate to acetylcholinesterase: Analysis of field fluctuations, BIOPOLYMERS, 53(3), 2000, pp. 265-271
Quantum-dynamical picture of a multistep enzymatic process: Reaction catalyzed by phospholipase A(2)
Authors:
Bala, P
Grochowski, P
Nowinski, K
Lesyng, B
McCammon, JA
Citation: P. Bala et al., Quantum-dynamical picture of a multistep enzymatic process: Reaction catalyzed by phospholipase A(2), BIOPHYS J, 79(3), 2000, pp. 1253-1262
Authors:
Brown, FLH
Leitner, DM
McCammon, JA
Wilson, KR
Citation: Flh. Brown et al., Lateral diffusion of membrane proteins in the presence of static and dynamic corrals: Suggestions for appropriate observables, BIOPHYS J, 78(5), 2000, pp. 2257-2269
Authors:
Sotriffer, CA
Ni, HH
McCammon, JA
Citation: Ca. Sotriffer et al., HIV-1 integrase inhibitor interactions at the active site: Prediction of binding modes unaffected by crystal packing, J AM CHEM S, 122(25), 2000, pp. 6136-6137
Authors:
Masukawa, KM
Carlson, HA
McCammon, JA
Citation: Km. Masukawa et al., Technique for developing a pharmacophore model that accommodates inherent protein flexibility: An application to HIV-1 integrase, IUL BIOTECH, 2, 2000, pp. 409-427
Authors:
Baker, NA
McCammon, JA
Citation: Na. Baker et Ja. Mccammon, Non-Boltzmann rate distributions in stochastically gated reactions, J PHYS CH B, 103(4), 1999, pp. 615-617
Authors:
Helms, V
Straatsma, TP
McCammon, JA
Citation: V. Helms et al., Internal dynamics of green fluorescent protein, J PHYS CH B, 103(16), 1999, pp. 3263-3269
Authors:
Carlson, HA
Masukawa, KM
McCammon, JA
Citation: Ha. Carlson et al., Method for including the dynamic fluctuations of a protein in computer-aided drug design, J PHYS CH A, 103(49), 1999, pp. 10213-10219
Authors:
Wriggers, W
Milligan, RA
McCammon, JA
Citation: W. Wriggers et al., Situs: A package for docking crystal structures into low-resolution maps from electron microscopy, J STRUCT B, 125(2-3), 1999, pp. 185-195
Authors:
Baker, NA
Helms, V
McCammon, JA
Citation: Na. Baker et al., Dynamical properties of fasciculin-2, PROTEINS, 36(4), 1999, pp. 447-453
Authors:
Hunenberger, PH
McCammon, JA
Citation: Ph. Hunenberger et Ja. Mccammon, Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study, BIOPHYS CH, 78(1-2), 1999, pp. 69-88
Authors:
Xavier, KA
McDonald, SM
McCammon, JA
Willson, RC
Citation: Ka. Xavier et al., Association and dissociation kinetics of bobwhite quail lysozyme with monoclonal antibody HyHEL-5, PROTEIN ENG, 12(1), 1999, pp. 79-83
Authors:
Potter, MJ
Kirchhoff, PD
Carlson, HA
McCammon, JA
Citation: Mj. Potter et al., Molecular dynamics of cryptophane and its complexes with tetramethylammonium and neopentane using a continuum solvent model, J COMPUT CH, 20(9), 1999, pp. 956-970
Authors:
Blachut-Okrasinska, E
Lesyng, B
Briggs, JH
McCammon, JA
Antosiewicz, JM
Citation: E. Blachut-okrasinska et al., Poisson-Boltzmann model studies of molecular electrostatic properties of the cAMP-dependent protein kinase, EUR BIOPHYS, 28(6), 1999, pp. 457-467
Authors:
Weber, W
Helms, V
McCammon, JA
Langhoff, PW
Citation: W. Weber et al., Shedding light on the dark and weakly fluorescent states of green fluorescent proteins, P NAS US, 96(11), 1999, pp. 6177-6182
Authors:
Sept, D
Elcock, AH
McCammon, JA
Citation: D. Sept et al., Computer simulations of actin polymerization can explain the barbed-pointed end asymmetry, J MOL BIOL, 294(5), 1999, pp. 1181-1189
Authors:
Elcock, AH
Gabdoulline, RR
Wade, RC
McCammon, JA
Citation: Ah. Elcock et al., Computer simulation of protein-protein association kinetics: Acetylcholinesterase-fasciculin, J MOL BIOL, 291(1), 1999, pp. 149-162
Authors:
de Bakker, PIW
Hunenberger, PH
McCammon, JA
Citation: Piw. De Bakker et al., Molecular dynamics simulations of the hyperthermophilic protein Sac7d fromSulfolobus acidocaldarius: Contribution of salt bridges to thermostability, J MOL BIOL, 285(4), 1999, pp. 1811-1830
Authors:
Carlson, HA
Briggs, JM
McCammon, JA
Citation: Ha. Carlson et al., Calculation of the pK(a) values for the ligands and side chains of Escherichia coli D-alanine : D-alanine ligase, J MED CHEM, 42(1), 1999, pp. 109-117
Authors:
Huber, GA
McCammon, JA
Citation: Ga. Huber et Ja. Mccammon, OOMPAA - Object-oriented model for probing assemblages of atoms, J COMPUT PH, 151(1), 1999, pp. 264-282
Authors:
Hunenberger, PH
McCammon, JA
Citation: Ph. Hunenberger et Ja. Mccammon, Ewald artifacts in computer simulations of ionic solvation and ion-ion interaction: A continuum electrostatics study, J CHEM PHYS, 110(4), 1999, pp. 1856-1872
Authors:
Baker, NA
Hunenberger, PH
McCammon, JA
Citation: Na. Baker et al., Polarization around an ion in a dielectric continuum with truncated electrostatic interactions, J CHEM PHYS, 110(22), 1999, pp. 10679-10692
Authors:
Tara, S
Helms, V
Straatsma, TP
McCammon, JA
Citation: S. Tara et al., Molecular dynamics of mouse acetylcholinesterase complexed with huperzine A, BIOPOLYMERS, 50(4), 1999, pp. 347-359
Authors:
Tara, S
Straatsma, TP
McCammon, JA
Citation: S. Tara et al., Mouse acetylcholinesterase unliganded and in complex with huperzine A: A comparison of molecular dynamics simulations, BIOPOLYMERS, 50(1), 1999, pp. 35-43
Authors:
Smart, JL
McCammon, JA
Citation: Jl. Smart et Ja. Mccammon, Phosphorylation stabilizes the N-termini of alpha-helices, BIOPOLYMERS, 49(3), 1999, pp. 225-233