Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures.
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Balancing solvation and intramolecular interactions: toward a consistent generalized Born force fieldCHARMM: the biomolecular simulation programH++: a server for estimating pKas and adding missing hydrogens to macromoleculesMolecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithmsBiomolecular electrostatics and solvation: a computational perspectiveDynamics of Bcl-xL in water and membrane: molecular simulationsAn induced pocket for the binding of potent fusion inhibitor CL-385319 with H5N1 influenza virus hemagglutininThe Amber biomolecular simulation programsDrug discovery using chemical systems biology: weak inhibition of multiple kinases may contribute to the anti-cancer effect of nelfinavirHydrogen bonding penalty upon ligand bindingWrapping effects within a proposed function-rescue strategy for the Y220C oncogenic mutation of protein p53dMM-PBSA: A New HADDOCK Scoring Function for Protein-Peptide DockingIntegrated Modeling Program, Applied Chemical Theory (IMPACT)Designer nanorings with functional cavities from self-assembling β-sheet peptides.Princeton_TIGRESS: protein geometry refinement using simulations and support vector machines.Factors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations.Electronic polarization stabilizes tertiary structure prediction of HP-36.Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.Ab initio protein structure prediction with force field parameters derived from water-phase quantum chemical calculation.A test on peptide stability of AMBER force fields with implicit solvationBlind test of physics-based prediction of protein structures.Molecular dynamics analysis of antibody recognition and escape by human H1N1 influenza hemagglutinin.Dual Allosteric Inhibitors Jointly Modulate Protein Structure and Dynamics in the Hepatitis C Virus Polymerase.Drug Repurposing Identifies Inhibitors of Oseltamivir-Resistant Influenza VirusesInsulin Mimetic Peptide Disrupts the Primary Binding Site of the Insulin Receptor.Electrostatic Similarity Determination Using Multiresolution Analysis.Princeton_TIGRESS 2.0: High refinement consistency and net gains through support vector machines and molecular dynamics in double-blind predictions during the CASP11 experiment.The VSGB 2.0 model: a next generation energy model for high resolution protein structure modeling.Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular bindingPBEQ-Solver for online visualization of electrostatic potential of biomolecules.PHEMTO: protein pH-dependent electric moment tools.From the gating charge response to pore domain movement: initial motions of Kv1.2 dynamics under physiological voltage changes.Design, synthesis, binding and docking-based 3D-QSAR studies of 2-pyridylbenzimidazoles--a new family of high affinity CB1 cannabinoid ligands.Ranking ligand affinity for the DNA minor groove by experiment and simulation.Intrinsically disordered regions may lower the hydration free energy in proteins: a case study of nudix hydrolase in the bacterium Deinococcus radiodurans.Symmetry and frustration in protein energy landscapes: a near degeneracy resolves the Rop dimer-folding mystery.Hydration Free Energy from Orthogonal Space Random Walk and Polarizable Force Field.Surveying implicit solvent models for estimating small molecule absolute hydration free energies.The flexible C-terminal arm of the Lassa arenavirus Z-protein mediates interactions with multiple binding partners.Differential geometry based solvation model I: Eulerian formulation.
P2860
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P2860
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures.
description
2004 nî lūn-bûn
@nan
2004 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
Performance comparison of gene ...... ergies for protein structures.
@ast
Performance comparison of gene ...... ergies for protein structures.
@en
Performance comparison of gene ...... ergies for protein structures.
@nl
type
label
Performance comparison of gene ...... ergies for protein structures.
@ast
Performance comparison of gene ...... ergies for protein structures.
@en
Performance comparison of gene ...... ergies for protein structures.
@nl
prefLabel
Performance comparison of gene ...... ergies for protein structures.
@ast
Performance comparison of gene ...... ergies for protein structures.
@en
Performance comparison of gene ...... ergies for protein structures.
@nl
P2093
P356
P1476
Performance comparison of gene ...... ergies for protein structures.
@en
P2093
Alexey Onufriev
Charles L Brooks
David A Case
Michael Feig
Michael S Lee
P304
P356
10.1002/JCC.10378
P50
P577
2004-01-01T00:00:00Z