Molecular dynamics simulation of highly charged proteins: comparison of the particle-particle particle-mesh and reaction field methods for the calculation of electrostatic interactions.
about
Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization.Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH.Effect of the Reaction Field on Molecular Forces and Torques Revealed by an Image-Charge Solvation Model.Non-Ewald methods: theory and applications to molecular systems.All-Atom Continuous Constant pH Molecular Dynamics With Particle Mesh Ewald and Titratable Water.Dependence of protein crystal stability on residue charge states and ion content of crystal solvent.Prediction of a new class of RNA recognition motif.The zero-multipole summation method for estimating electrostatic interactions in molecular dynamics: analysis of the accuracy and application to liquid systems.A simple polarizable continuum solvation model for electrolyte solutions.Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system.Insights into conformational changes of procarboxypeptidase A and B from simulations: a plausible explanation for different intrinsic activity
P2860
Q35751567-159D553C-DF41-4C8D-A713-7E7E43F75019Q36437502-AC7F39E6-2685-491A-99A6-259B4C8FF62AQ36984793-E050B77E-012F-4117-916C-4A48F28E6590Q38072043-E48DD7D3-2314-40FB-AF35-536CC9572335Q39317206-2B514365-2D7E-4FDD-A1BA-70F00F99E1CCQ41837130-317B261B-28AC-4ED5-8478-8995129ABE38Q42682081-B3479265-4E02-4C48-BDFE-0CBEB90F708CQ51083996-12CF95FE-61CA-47E8-A156-76D78F07CA5BQ51561874-533B8190-474F-49D8-BEDC-B21693633A2BQ54636814-2DC0FE4E-417A-44B9-9BE7-39A3DA7B60BEQ58465756-1E5136E8-2898-40DD-9E9B-89ED03CD4E68
P2860
Molecular dynamics simulation of highly charged proteins: comparison of the particle-particle particle-mesh and reaction field methods for the calculation of electrostatic interactions.
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
Molecular dynamics simulation ...... of electrostatic interactions.
@ast
Molecular dynamics simulation ...... of electrostatic interactions.
@en
type
label
Molecular dynamics simulation ...... of electrostatic interactions.
@ast
Molecular dynamics simulation ...... of electrostatic interactions.
@en
prefLabel
Molecular dynamics simulation ...... of electrostatic interactions.
@ast
Molecular dynamics simulation ...... of electrostatic interactions.
@en
P2860
P50
P356
P1433
P1476
Molecular dynamics simulation ...... of electrostatic interactions.
@en
P2093
Baldomero Oliva
P2860
P304
P356
10.1110/PS.03137003
P577
2003-10-01T00:00:00Z