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Quantum and classical dynamics simulations of ATP hydrolysis in solution.

Quantum and classical dynamics simulations of ATP hydrolysis in solution.

http://www.wikidata.org/entity/Q42101506

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Ternary structure reveals mechanism of a membrane diacylglycerol kinase Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis Unraveling the mystery of ATP hydrolysis in actin filaments.Finding Chemical Reaction Paths with a Multilevel Preconditioning Protocol.Mechanism of deep-sea fish α-actin pressure tolerance investigated by molecular dynamics simulations.A computational study of the phosphoryl transfer reaction between ATP and Dha in aqueous solution.The GTPase hGBP1 converts GTP to GMP in two steps via proton shuttle mechanisms.Addressing open questions about phosphate hydrolysis pathways by careful free energy mapping.Comparing the catalytic strategy of ATP hydrolysis in biomolecular motors.Allostery in the dengue virus NS3 helicase: Insights into the NTPase cycle from molecular simulations.Molecular Mechanism of ATP Hydrolysis in an ABC Transporter Theoretical studies of the function switch and mechanism of AceK as a highly active ATPase

P2860

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P2860

Quantum and classical dynamics simulations of ATP hydrolysis in solution.

http://www.wikidata.org/entity/Q42101506

description

2012 nî lūn-bûn

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2012年の論文

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2012年論文

@yue

2012年論文

@zh-hant

2012年論文

@zh-hk

2012年論文

@zh-mo

2012年論文

@zh-tw

2012年论文

@wuu

2012年论文

@zh

2012年论文

@zh-cn

name

Quantum and classical dynamics simulations of ATP hydrolysis in solution.

@en

Quantum and classical dynamics simulations of ATP hydrolysis in solution.

@nl

type

label

Quantum and classical dynamics simulations of ATP hydrolysis in solution.

@en

Quantum and classical dynamics simulations of ATP hydrolysis in solution.

@nl

prefLabel

Quantum and classical dynamics simulations of ATP hydrolysis in solution.

@en

Quantum and classical dynamics simulations of ATP hydrolysis in solution.

@nl

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Journal of Chemical Theory and Computation

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Quantum and classical dynamics simulations of ATP hydrolysis in solution.

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P2093

Christopher B Harrison

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P2860

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

Density-functional exchange-energy approximation with correct asymptotic behavior

Structure at 2.8 A resolution of F1-ATPase from bovine heart mitochondria

Lysine 71 of the chaperone protein Hsc70 Is essential for ATP hydrolysis

All-atom empirical potential for molecular modeling and dynamics studies of proteins

Scalable molecular dynamics with NAMD

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Theoretical studies of the ATP hydrolysis mechanism of myosin

Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

The ATP synthase--a splendid molecular machine

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2328-2335

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scholarly article

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10.1021/CT200886J

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7

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8

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23293550

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3536536

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