Motional averaging of proton nuclear Overhauser effects in proteins. Predictions from a molecular dynamics simulation of lysozyme

E. T. Olejniczak; C. M. Dobson; M. Karplus; R. M. Levy

doi:10.1021/ja00319a004

Motional averaging of proton nuclear Overhauser effects in proteins. Predictions from a molecular dynamics simulation of lysozyme

Journal of the American Chemical Society ◽

10.1021/ja00319a004 ◽

1984 ◽

Vol 106 (7) ◽

pp. 1923-1930 ◽

Cited By ~ 94

Author(s):

E. T. Olejniczak ◽

C. M. Dobson ◽

M. Karplus ◽

R. M. Levy

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Nuclear Overhauser ◽

Nuclear Overhauser Effects

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ChemInform Abstract: MOTIONAL AVERAGING OF PROTON NUCLEAR OVERHAUSER EFFECTS IN PROTEINS. PREDICTIONS FROM A MOLECULAR DYNAMICS SIMULATION OF LYSOZYME

Chemischer Informationsdienst ◽

10.1002/chin.198427055 ◽

1984 ◽

Vol 15 (27) ◽

Author(s):

E. T. OLEJNICZAK ◽

C. M. DOBSON ◽

M. KARPLUS ◽

R. M. LEVY

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Nuclear Overhauser ◽

Nuclear Overhauser Effects

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Interaction of naphthalene derivatives with lipids in membranes studied by the 1H-nuclear Overhauser effect and molecular dynamics simulation

Physical Chemistry Chemical Physics ◽

10.1039/c2cp41984j ◽

2012 ◽

Vol 14 (40) ◽

pp. 14049 ◽

Cited By ~ 5

Author(s):

Megumi Shintani ◽

Yushi Matsuo ◽

Shun Sakuraba ◽

Nobuyuki Matubayasi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nuclear Overhauser Effect ◽

Dynamics Simulation ◽

Naphthalene Derivatives ◽

Overhauser Effect ◽

Nuclear Overhauser

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Glycan flexibility: insights into nanosecond dynamics from a microsecond molecular dynamics simulation explaining an unusual nuclear Overhauser effect

Carbohydrate Research ◽

10.1016/j.carres.2009.11.003 ◽

2010 ◽

Vol 345 (2) ◽

pp. 330-333 ◽

Cited By ~ 23

Author(s):

Jens Landström ◽

Göran Widmalm

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nuclear Overhauser Effect ◽

Dynamics Simulation ◽

Overhauser Effect ◽

Nanosecond Dynamics ◽

Nuclear Overhauser

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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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