Molecular-Dynamics Simulation of Hot Spots in Energetic Materials

Hydrophobic Binding Hot Spots of Bcl-xL Protein−Protein Interfaces by Cosolvent Molecular Dynamics Simulation

ACS Medicinal Chemistry Letters ◽

10.1021/ml100276b ◽

2011 ◽

Vol 2 (4) ◽

pp. 280-284 ◽

Cited By ~ 41

Author(s):

Chao-Yie Yang ◽

Shaomeng Wang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Hot Spots ◽

Dynamics Simulation ◽

Protein Interfaces ◽

Hydrophobic Binding

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ReaxFF Molecular Dynamics Simulation of Hydrostatic and Uniaxial Compression of Nitrate Energetic Materials

ACS Omega ◽

10.1021/acsomega.0c02829 ◽

2020 ◽

Vol 5 (29) ◽

pp. 18535-18543 ◽

Cited By ~ 1

Author(s):

Yaping Zhang ◽

Qikai Li ◽

Yuanhang He

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Uniaxial Compression ◽

Energetic Materials ◽

Dynamics Simulation

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Physical Property Prediction of Energetic Materials from Molecular Dynamics Simulation

Energetic Materials ◽

10.1201/b10475-5 ◽

2010 ◽

pp. 45-70 ◽

Cited By ~ 1

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Energetic Materials ◽

Physical Property ◽

Dynamics Simulation ◽

Property Prediction

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Molecular dynamics simulation reveals the possible druggable hot-spots of USP7

Oncotarget ◽

10.18632/oncotarget.26136 ◽

2018 ◽

Vol 9 (76) ◽

pp. 34289-34305 ◽

Cited By ~ 8

Author(s):

Mitul Srivastava ◽

Charu Suri ◽

Mrityunjay Singh ◽

Rajani Mathur ◽

Shailendra Asthana

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Hot Spots ◽

Dynamics Simulation

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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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