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Results: 1-9 |
Results: 9
Solvation energy density occlusion approximation for evaluation of desolvation penalties in biomolecular interactions
Authors: Arora, N Bashford, D
Citation: N. Arora et D. Bashford, Solvation energy density occlusion approximation for evaluation of desolvation penalties in biomolecular interactions, PROTEINS, 43(1), 2001, pp. 12-27
pK(a) calculations suggest storage of an excess proton in a hydrogen-bonded water network in bacteriorhodopsin
Authors: Spassov, VZ Luecke, H Gerwert, K Bashford, D
Citation: Vz. Spassov et al., pK(a) calculations suggest storage of an excess proton in a hydrogen-bonded water network in bacteriorhodopsin, J MOL BIOL, 312(1), 2001, pp. 203-219
Stabilization of charges and protonation states in the active site of the protein tyrosine phosphatases: A computational study
Authors: Dillet, V Van Etten, RL Bashford, D
Citation: V. Dillet et al., Stabilization of charges and protonation states in the active site of the protein tyrosine phosphatases: A computational study, J PHYS CH B, 104(47), 2000, pp. 11321-11333
Modification of the generalized Born model suitable for macromolecules
Authors: Onufriev, A Bashford, D Case, DA
Citation: A. Onufriev et al., Modification of the generalized Born model suitable for macromolecules, J PHYS CH B, 104(15), 2000, pp. 3712-3720
Generalized born models of macromolecular solvation effects
Authors: Bashford, D Case, DA
Citation: D. Bashford et Da. Case, Generalized born models of macromolecular solvation effects, ANN R PH CH, 51, 2000, pp. 129-152
Protonation states and pH titration in the photocycle of photoactive yellow protein
Authors: Demchuk, E Genick, UK Woo, TT Getzoff, ED Bashford, D
Citation: E. Demchuk et al., Protonation states and pH titration in the photocycle of photoactive yellow protein, BIOCHEM, 39(5), 2000, pp. 1100-1113
Multiple-site ligand binding to flexible macromolecules: separation of global and local conformational change and an iterative mobile clustering approach
Authors: Spassov, VZ Bashford, D
Citation: Vz. Spassov et D. Bashford, Multiple-site ligand binding to flexible macromolecules: separation of global and local conformational change and an iterative mobile clustering approach, J COMPUT CH, 20(11), 1999, pp. 1091-1111
Density functional and electrostatic calculations of manganese superoxide dismutase active site complexes in protein environments
Authors: Li, J Fisher, CL Konecny, R Bashford, D Noodleman, L
Citation: J. Li et al., Density functional and electrostatic calculations of manganese superoxide dismutase active site complexes in protein environments, INORG CHEM, 38(5), 1999, pp. 929-939
CuZn superoxide dismutase geometry optimization, energetics, and redox potential calculations by density functional and electrostatic methods
Authors: Konecny, R Li, J Fisher, CL Dillet, V Bashford, D Noodleman, L
Citation: R. Konecny et al., CuZn superoxide dismutase geometry optimization, energetics, and redox potential calculations by density functional and electrostatic methods, INORG CHEM, 38(5), 1999, pp. 940-950
Risultati: 1-9 |