Advances in biomolecular simulations: methodology and recent applications.
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Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin DynamicsStatistical temperature molecular dynamics: application to coarse-grained beta-barrel-forming protein models.Molecular dynamics study of prolyl oligopeptidase with inhibitor in binding cavity.Low-temperature molecular dynamics simulations of horse heart cytochrome c and comparison with inelastic neutron scattering data.Testing of the GROMOS Force-Field Parameter Set 54A8: Structural Properties of Electrolyte Solutions, Lipid Bilayers, and ProteinsA Lennard-Jones plus Coulomb potential for Al3+ ions in aqueous solutions.Statistical thermodynamics of biomembranesStrong repulsive forces between protein and oligo (ethylene glycol) self-assembled monolayers: a molecular simulation study.Effect of protein binding on ultrafast DNA dynamics: characterization of a DNA:APE1 complex.Polar Desolvation and Position 226 of Pancreatic and Neutrophil Elastases Are Crucial to their Affinity for the Kunitz-Type Inhibitors ShPI-1 and ShPI-1/K13LStructural features of mammalian histidine decarboxylase reveal the basis for specific inhibition.Classical electrostatics for biomolecular simulations.Aggregation of amyloids in a cellular context: modelling and experiment.Interactions between drugs and polymers influencing hot melt extrusion.Development of CHARMM polarizable force field for nucleic acid bases based on the classical Drude oscillator modelA combined experimental and computational study of Vam3, a derivative of resveratrol, and Syk interaction.Modeling DNA loops using the theory of elasticity.Shape and pharmacophore-based virtual screening to identify potential cytochrome P450 sterol 14α-demethylase inhibitors.Exploring the selectivity of a ligand complex with CDK2/CDK1: a molecular dynamics simulation approach.Homology modeling based solution structure of Hoxc8-DNA complex: role of context bases outside TAAT stretch.Polarizable Multipole-Based Force Field for Aromatic Molecules and Nucleobases.Molecular simulation studies of nanoscale friction between phosphorylcholine self-assembled monolayer surfaces: correlation between surface hydration and friction.Understanding the nonfouling mechanism of surfaces through molecular simulations of sugar-based self-assembled monolayers.Molecular simulation studies of the structure of phosphorylcholine self-assembled monolayers.Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvatEstimation of absolute solvent and solvation shell entropies via permutation reduction.Collective Langevin dynamics of conformational motions in proteins.Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms
P2860
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P2860
Advances in biomolecular simulations: methodology and recent applications.
description
2003 nî lūn-bûn
@nan
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
2003年论文
@zh
2003年论文
@zh-cn
name
Advances in biomolecular simulations: methodology and recent applications.
@ast
Advances in biomolecular simulations: methodology and recent applications.
@en
type
label
Advances in biomolecular simulations: methodology and recent applications.
@ast
Advances in biomolecular simulations: methodology and recent applications.
@en
prefLabel
Advances in biomolecular simulations: methodology and recent applications.
@ast
Advances in biomolecular simulations: methodology and recent applications.
@en
P1476
Advances in biomolecular simulations: methodology and recent applications.
@en
P2093
Jan Norberg
P304
P356
10.1017/S0033583503003895
P577
2003-08-01T00:00:00Z