A modified TIP3P water potential for simulation with Ewald summation. - Wikidata - wikimedia - TriplyDB

A modified TIP3P water potential for simulation with Ewald summation.

A modified TIP3P water potential for simulation with Ewald summation.

http://www.wikidata.org/entity/Q45154346

about

Structural diversity of supercoiled DNA.Computational studies of the binding profile of phosphoinositide PtdIns (3,4,5) P₃ with the pleckstrin homology domain of an oomycete cellulose synthase The 2.5 A Structure of the Enterococcus Conjugation Protein TraM resembles VirB8 Type IV Secretion Proteins The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes Structure of a double-domain phosphagen kinase reveals an asymmetric arrangement of the tandem domains Mathematical and computational modeling in biology at multiple scales Toward the discovery of vaccine adjuvants: coupling in silico screening and in vitro analysis of antagonist binding to human and mouse CCR4 receptors Utilizing a dynamical description of IspH to aid in the development of novel antimicrobial drugs Insights into the folding and unfolding processes of wild-type and mutated SH3 domain by molecular dynamics and replica exchange molecular dynamics simulations.Simulations of a protein crystal with a high resolution X-ray structure: evaluation of force fields and water models.Segmented transition pathway of the signaling protein nitrogen regulatory protein C Preferred WMSA catalytic mechanism of the nucleotidyl transfer reaction in human DNA polymerase κ elucidates error-free bypass of a bulky DNA lesion.Structural analysis and modeling reveals new mechanisms governing ESCRT-III spiral filament assembly.Structural and functional characterization of a cold-adapted stand-alone TPM domain reveals a relationship between dynamics and phosphatase activity.A unique profilin-actin interface is important for malaria parasite motility Effects of ionic strength on SAXS data for proteins revealed by molecular dynamics simulations.A new view of the bacterial cytosol environment Amino-terminal extension present in the methionine aminopeptidase type 1c of Mycobacterium tuberculosis is indispensible for its activity.Structural and dynamic characterization of polymerase κ's minor groove lesion processing reveals how adduct topology impacts fidelity.The role of conserved waters in conformational transitions of Q61H K-ras.A critical residue selectively recruits nucleotides for t7 RNA polymerase transcription fidelity control.Peptides displayed as high density brush polymers resist proteolysis and retain bioactivity.TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations A Stochastic Algorithm for the Isobaric-Isothermal Ensemble with Ewald Summations for All Long Range Forces.The energy landscape of adenylate kinase during catalysis.Predicting the DNA sequence dependence of nanopore ion current using atomic-resolution Brownian dynamics.Repeated administration of ethambutol in therapeutic dose causes testes alteration and spermatogenesis disruption in Wistar rats.Membrane Assembly and Ion Transport Ability of a Fluorinated Nanopore Surface-water Interface Induces Conformational Changes Critical for Protein Adsorption: Implications for Monolayer Formation of EAS Hydrophobin Validation of a novel secretion modification region (SMR) of HIV-1 Nef using cohort sequence analysis and molecular modeling.Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface.On-the-fly free energy parameterization via temperature accelerated molecular dynamics C60 fullerene localization and membrane interactions in RAW 264.7 immortalized mouse macrophages.Simulation of nitroxide electron paramagnetic resonance spectra from brownian trajectories and molecular dynamics simulations.Concentration Effect of Reducing Agents on Green Synthesis of Gold Nanoparticles: Size, Morphology, and Growth Mechanism Solvent reaction field potential inside an uncharged globular protein: a bridge between implicit and explicit solvent models?On the application of accelerated molecular dynamics to liquid water simulations.DNA cytosine methylation: structural and thermodynamic characterization of the epigenetic marking mechanism.Peptide inhibitors disrupt the serotonin 5-HT2C receptor interaction with phosphatase and tensin homolog to allosterically modulate cellular signaling and behavior.The allosteric switching mechanism in bacteriophage MS2.

P2860

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P2860

A modified TIP3P water potential for simulation with Ewald summation.

http://www.wikidata.org/entity/Q45154346

description

2004 nî lūn-bûn

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2004年の論文

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2004年学术文章

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2004年学术文章

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2004年学术文章

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2004年学术文章

@zh-hans

2004年学术文章

@zh-my

2004年学术文章

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2004年學術文章

@yue

2004年學術文章

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name

A modified TIP3P water potential for simulation with Ewald summation.

@en

A modified TIP3P water potential for simulation with Ewald summation.

@nl

type

label

A modified TIP3P water potential for simulation with Ewald summation.

@en

A modified TIP3P water potential for simulation with Ewald summation.

@nl

prefLabel

A modified TIP3P water potential for simulation with Ewald summation.

@en

A modified TIP3P water potential for simulation with Ewald summation.

@nl

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P2860

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P1433

Journal of Chemical Physics

P1476

A modified TIP3P water potential for simulation with Ewald summation.

@en

P2093

Charles L Brooks

http://www.w3.org/2001/XMLSchema#string

Daniel J Price

http://www.w3.org/2001/XMLSchema#string

P2860

Comparison of simple potential functions for simulating liquid water

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

The missing term in effective pair potentials

Improved convergence of binding affinities with free energy perturbation: application to nonpeptide ligands with pp60src SH2 domain.

Modern protein force fields behave comparably in molecular dynamics simulations.

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

Structure and dynamics of liquid water with different long-range interaction truncation and temperature control methods in molecular dynamics simulations

Rationalization of the dielectric properties of common three-site water models in terms of their force field parameters

P304

10096-10103

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P31

scholarly article

P356

10.1063/1.1808117

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P433

20

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P478

121

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2004-11-01T00:00:00Z

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P698

15549884

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