Solvation energetics of protein and its aggregates analyzed by all-atom molecular dynamics simulation and the energy-representation theory of solvation

Chemical Communications ◽

10.1039/d1cc03395f ◽

2021 ◽

Author(s):

Nobuyuki Matubayasi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Representation Theory ◽

Controlling Factor ◽

Dynamics Simulation ◽

Induced Changes

Solvation is a controlling factor for the structures and functions of proteins. This article addresses the effects of solvation from the energetic perspective for the fluctuations and cosolvent-induced changes of...

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Insight Derived from Molecular Dynamics Simulation into Substrate-Induced Changes in Protein Motions of Proteinase K

Journal of Biomolecular Structure and Dynamics ◽

10.1080/073911010010524953 ◽

2010 ◽

Vol 28 (2) ◽

pp. 143-157 ◽

Cited By ~ 119

Author(s):

Yan Tao ◽

Zi-He Rao ◽

Shu-Qun Liu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Proteinase K ◽

Protein Motions ◽

Induced Changes

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Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

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Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Cited By ~ 24

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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Nonequilibrium effects in electron-ion strongly coupled plasmas. Molecular dynamics simulation

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Cited By ~ 5

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

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A molecular dynamics simulation for an ODIC phase. - III. Analysis of the correlation functions

Journal de Physique ◽

10.1051/jphys:01987004805082100 ◽

1987 ◽

Vol 48 (5) ◽

pp. 821-835 ◽

Cited By ~ 6

Author(s):

Ph. Buchet ◽

R.M. Pick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Correlation Functions ◽

Dynamics Simulation ◽

Phase Iii

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ROLE OF THE CONSERVATIVE INTERHELICAL HYDROGEN BOND SER74-TRP158 AT THE CHOLESTEROL BINDING SITE IN THE CONFORMATIONAL STABILITY OF THE b2-ADRENERGIC RECEPTOR: MOLECULAR DYNAMICS SIMULATION

Журнал структурной химии ◽

10.15372/jsc20170224 ◽

2017 ◽

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding

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SCALE INHIBITION OF SODIUM CARBOXYMETHYL CELLULOSE AT DIFFERENT GROWTH STAGES BASED ON MOLECULAR DYNAMICS SIMULATION

Heat Transfer Research ◽

10.1615/heattransres.2020033226 ◽

2020 ◽

Vol 51 (16) ◽

pp. 1455-1464

Author(s):

Yu Zhao ◽

Shanshan He ◽

Zhiming Xu ◽

Bingbing Wang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carboxymethyl Cellulose ◽

Dynamics Simulation ◽

Sodium Carboxymethyl Cellulose ◽

Growth Stages ◽

Scale Inhibition ◽

Different Growth Stages

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MOLECULAR DYNAMICS SIMULATION OF NANOSCALE ARGON DROPLET MOTION ON SOLID SURFACE INDUCED BY TEMPERATURE GRADIENT

Equipment ◽

10.1615/ihtc13.p8.160 ◽

2006 ◽

Author(s):

Dr. Akira Murata ◽

Dr. Sadanari Mochizuki

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Temperature Gradient ◽

Solid Surface ◽

Dynamics Simulation ◽

Droplet Motion

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MOLECULAR DYNAMICS SIMULATION OF POLYMER/CARBON NANOTUBE COMPOSITES

Nanomechanics Science and Technology An International Journal ◽

10.1615/nanomechanicsscitechnolintj.v4.i1.20 ◽

2013 ◽

Vol 4 (1) ◽

pp. 29-45

Author(s):

Sumit Sharma ◽

Rakesh Chandra ◽

Pramod Kumar ◽

Navin Kumar

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Nanotube Composites ◽

Carbon Nanotube Composites

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