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Results: 1-25/56
Authors:
Elcock, AH
Sept, D
McCammon, JA
Citation: Ah. Elcock et al., Computer simulation of protein-protein interactions, J PHYS CH B, 105(8), 2001, pp. 1504-1518
Authors:
Yoo, HY
Boatz, JA
Helms, V
McCammon, JA
Langhoff, PW
Citation: Hy. Yoo et al., Chromophore protonation states and the proton shuttle mechanism in green fluorescent protein: Inferences drawn from ab initio theoretical studies of chemical structures and vibrational spectra, J PHYS CH B, 105(14), 2001, pp. 2850-2857
Authors:
Nolen, B
Yun, CY
Wong, CF
McCammon, JA
Fu, XD
Ghosh, G
Citation: B. Nolen et al., The structure of Sky1p reveals a novel mechanism for constitutive activity, NAT ST BIOL, 8(2), 2001, pp. 176-183
Authors:
Shen, TY
Tai, K
McCammon, JA
Citation: Ty. Shen et al., Statistical analysis of the fractal gating motions of the enzyme acetylcholinesterase - art. no. 041902, PHYS REV E, 6304(4), 2001, pp. 1902
Authors:
Morikis, D
Elcock, AH
Jennings, PA
McCammon, JA
Citation: D. Morikis et al., Native-state conformational dynamics of GART: A regulatory pH-dependent coil-helix transition examined by electrostatic calculations, PROTEIN SCI, 10(11), 2001, pp. 2363-2378
Authors:
Morikis, D
Elcock, AH
Jennings, PA
McCammon, JA
Citation: D. Morikis et al., Proton transfer dynamics of GART: The pH-dependent catalytic mechanism examined by electrostatic calculations, PROTEIN SCI, 10(11), 2001, pp. 2379-2392
Authors:
Elcock, AH
McCammon, JA
Citation: Ah. Elcock et Ja. Mccammon, Identification of protein oligomerization states by analysis of interface conservation, P NAS US, 98(6), 2001, pp. 2990-2994
Authors:
Baker, NA
Sept, D
Joseph, S
Holst, MJ
McCammon, JA
Citation: Na. Baker et al., Electrostatics of nanosystems: Application to microtubules and the ribosome, P NAS US, 98(18), 2001, pp. 10037-10041
Authors:
Andrianantoandro, E
Blanchoin, L
Sept, D
McCammon, JA
Pollard, TD
Citation: E. Andrianantoandro et al., Kinetic mechanism of end-to-end annealing of actin filaments, J MOL BIOL, 312(4), 2001, pp. 721-730
Authors:
Ni, HH
Sotriffer, CA
McCammon, JA
Citation: Hh. Ni et al., Ordered water and ligand mobility in the HIV-1 integrase-5CITEP complex: Amolecular dynamics study, J MED CHEM, 44(19), 2001, pp. 3043-3047
Authors:
Wong, CF
Hunenberger, PH
Akamine, P
Narayana, N
Diller, T
McCammon, JA
Taylor, S
Xuong, NH
Citation: Cf. Wong et al., Computational analysis of PKA-balanol interactions, J MED CHEM, 44(10), 2001, pp. 1530-1539
Authors:
Straatsma, TP
McCammon, JA
Citation: Tp. Straatsma et Ja. Mccammon, Load balancing of molecular dynamics simulation with NWChem, IBM SYST J, 40(2), 2001, pp. 328-341
Authors:
Baker, NA
Sept, D
Holst, MJ
McCammon, JA
Citation: Na. Baker et al., The adaptive multilevel finite element solution of the Poisson-Boltzmann equation on massively parallel computers, IBM J RES, 45(3-4), 2001, pp. 427-438
Authors:
Sept, D
McCammon, JA
Citation: D. Sept et Ja. Mccammon, Thermodynamics and kinetics of actin filament nucleation, BIOPHYS J, 81(2), 2001, pp. 667-674
Authors:
Tai, K
Shen, TY
Borjesson, U
Philippopoulos, M
McCammon, JA
Citation: K. Tai et al., Analysis of a 10-ns molecular dynamics simulation of mouse acetylcholinesterase, BIOPHYS J, 81(2), 2001, pp. 715-724
Authors:
Elcock, AH
McCammon, JA
Citation: Ah. Elcock et Ja. Mccammon, Calculation of weak protein-protein interactions: The pH dependence of thesecond virial coefficient, BIOPHYS J, 80(2), 2001, pp. 613-625
Authors:
Shen, TY
Wong, CF
McCammon, JA
Citation: Ty. Shen et al., Atomistic Brownian dynamics simulation of peptide phosphorylation, J AM CHEM S, 123(37), 2001, pp. 9107-9111
Authors:
Ondrechen, MJ
Briggs, JM
McCammon, JA
Citation: Mj. Ondrechen et al., A model for enzyme-substrate interaction in alanine racemase, J AM CHEM S, 123(12), 2001, pp. 2830-2834
Authors:
Mordasini, TZ
McCammon, JA
Citation: Tz. Mordasini et Ja. Mccammon, Calculations of relative hydration free energies: A comparative study using thermodynamic integration and an extrapolation method based on a single reference state, J PHYS CH B, 104(2), 2000, pp. 360-367
Authors:
Weber, W
Hunenberger, PH
McCammon, JA
Citation: W. Weber et al., Molecular dynamics simulations of a polyalanine octapeptide under Ewald boundary conditions: Influence of artificial periodicity on peptide conformation, J PHYS CH B, 104(15), 2000, pp. 3668-3675
Authors:
Carlson, HA
McCammon, JA
Citation: Ha. Carlson et Ja. Mccammon, Accommodating protein flexibility in computational drug design, MOLEC PHARM, 57(2), 2000, pp. 213-218
Authors:
Sotriffer, CA
Ni, HH
McCammon, JA
Citation: Ca. Sotriffer et al., Active site binding modes of HIV-1 integrase inhibitors, J MED CHEM, 43(22), 2000, pp. 4109-4117
Authors:
Carlson, HA
Masukawa, KM
Rubins, K
Bushman, FD
Jorgensen, WL
Lins, RD
Briggs, JM
McCammon, JA
Citation: Ha. Carlson et al., Developing a dynamic pharmacophore model for HIV-1 integrase, J MED CHEM, 43(11), 2000, pp. 2100-2114
Authors:
Baker, NA
Hunenberger, PH
McCammon, JA
Citation: Na. Baker et al., Polarization around an ion in a dielectric continuum with truncated electrostatic interactions (vol 110, pg 10679, 1999), J CHEM PHYS, 113(6), 2000, pp. 2510-2511
Authors:
Straatsma, TP
Philippopoulos, M
McCammon, JA
Citation: Tp. Straatsma et al., NWChem: Exploiting parallelism in molecular simulations, COMP PHYS C, 128(1-2), 2000, pp. 377-385