(Q46636331)

23 December 2017

title

Extracting hydration sites around proteins from explicit water simulations (English)

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2

J Andrew McCammon

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23 December 2017

Richard H Henchman

1

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23 December 2017

publication date

1 July 2002

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Journal of Computational Chemistry

published in

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23 December 2017

volume

23

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issue

9

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page(s)

861-869

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Water-protein interactions: theory and experiment

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Accurate simulation of protein dynamics in solution

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Hydration of proteins. A comparison of experimental residence times of water molecules solvating the bovine pancreatic trypsin inhibitor with theoretical model calculations

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21 January 2018

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Analysis of a 10-ns molecular dynamics simulation of mouse acetylcholinesterase

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21 January 2018

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

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Distribution function implied dynamics versus residence times and correlations: solvation shells of myoglobin

21 January 2018

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Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

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Molecular dynamics with coupling to an external bath

21 January 2018

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Active-site gorge and buried water molecules in crystal structures of acetylcholinesterase from Torpedo californica 1 1Edited by R. Huber

21 January 2018

1 reference

Solvent effects on protein motion and protein effects on solvent motion. Dynamics of the active site region of lysozyme

21 January 2018

1 reference

Determination of water structure around biomolecules using X-ray and neutron diffraction methods

21 January 2018

1 reference

A connected-cluster of hydration around myoglobin: correlation between molecular dynamics simulations and experiment

21 January 2018

1 reference

The influence of a protein on water dynamics in its vicinity investigated by molecular dynamics simulation

21 January 2018

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Molecular dynamics simulation of solvated azurin: Correlation between surface solvent accessibility and water residence times

21 January 2018

1 reference

Water penetration and escape in proteins

21 January 2018

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Dynamics of hydration in hen egg white lysozyme

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.10074

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23 December 2017

DBLP publication ID

journals/jcc/HenchmanM02

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DBLP Dataset 2021-01-02

28 January 2021

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23 December 2017