TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations - Wikidata - awgldk - TriplyDB

TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

http://www.wikidata.org/entity/Q34554643

about

Molecular simulations of carbohydrates and protein-carbohydrate interactions: motivation, issues and prospects The use of glycoinformatics in glycochemistry CHARMM additive all-atom force field for glycosidic linkages in carbohydrates involving furanoses.Bioinformatics and molecular modeling in glycobiology.Sucrose in aqueous solution revisited, Part 2: adaptively biased molecular dynamics simulations and computational analysis of NMR relaxation Carbohydrate force fields Directional Dependence of Hydrogen Bonds: a Density-based Energy Decomposition Analysis and Its Implications on Force Field Development Unraveling cellulose microfibrils: a twisted tale.

P2860

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P2860

TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

http://www.wikidata.org/entity/Q34554643

description

2007 nî lūn-bûn

@nan

2007 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած

@hyw

2007 թվականի սեպտեմբերին հրատարակված գիտական հոդված

@hy

2007年の論文

@ja

2007年論文

@yue

2007年論文

@zh-hant

2007年論文

@zh-hk

2007年論文

@zh-mo

2007年論文

@zh-tw

2007年论文

@wuu

name

TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

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TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

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TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

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type

label

TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

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TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

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TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

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prefLabel

TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

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TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

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TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

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P2860

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P1433

Journal of Chemical Theory and Computation

P1476

TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

@en

P2093

Michael R Kennerty

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

Robert J Woods

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

Sarah M Tschampel

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

P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Solvent interactions determine carbohydrate conformation

Principles of mucin architecture: structural studies on synthetic glycopeptides bearing clustered mono-, di-, tri-, and hexasaccharide glycodomains

Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums

A hydration study of (1-->4) and (1-->6) linked alpha-glucans by comparative 10 ns molecular dynamics simulations and 500-MHz NMR.

Restrained electrostatic potential atomic partial charges for condensed-phase simulations of carbohydrates.

Quantum mechanical study of the nonbonded forces in water-methanol complexes.

Quantifying the role of water in protein-carbohydrate interactions.

Solvated ensemble averaging in the calculation of partial atomic charges.

P304

1721-1733

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

P31

scholarly article

P356

10.1021/CT700046J

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P433

5

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P478

3

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2007-09-01T00:00:00Z

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25419191

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P932

4240008

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