Investigating the mutation resistance of nonnucleoside inhibitors of HIV-RT using multiple microsecond atomistic simulations

Jacob I. Monroe; Walid G. El-Nahal; Michael R. Shirts

doi:10.1002/prot.24346

Investigating the mutation resistance of nonnucleoside inhibitors of HIV-RT using multiple microsecond atomistic simulations

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.24346 ◽

2013 ◽

Vol 82 (1) ◽

pp. 130-144 ◽

Cited By ~ 4

Author(s):

Jacob I. Monroe ◽

Walid G. El-Nahal ◽

Michael R. Shirts

Keyword(s):

Atomistic Simulations ◽

Hiv Rt ◽

Nonnucleoside Inhibitors

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ATOMISTIC SIMULATIONS OF [100], [110] AND [111] SYMMETRIC TILT GRAIN BOUNDARIES IN Ni3Al

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1990135 ◽

1990 ◽

Vol 51 (C1) ◽

pp. C1-227-C1-232

Author(s):

D. T.L. LIN ◽

D. CHEN

Keyword(s):

Grain Boundaries ◽

Atomistic Simulations ◽

Symmetric Tilt

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Atomistic Simulations - Based Understanding of the Mechanism behind the Role of Second-Phase SiC Particles in Fracture Resistance of SiC-Si3N4 Nanocomposites

International Journal for Multiscale Computational Engineering ◽

10.1615/intjmultcompeng.v7.i4.40 ◽

2009 ◽

Vol 7 (4) ◽

pp. 277-294 ◽

Cited By ~ 7

Author(s):

Vikas Samvedi ◽

Vikas Tomar

Keyword(s):

Fracture Resistance ◽

Atomistic Simulations ◽

Second Phase ◽

Sic Particles

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Structural Dynamics of Biomolecules Through Atomistic Simulations Guided by DEER Measurements

SSRN Electronic Journal ◽

10.2139/ssrn.3194645 ◽

2018 ◽

Cited By ~ 1

Author(s):

Fabrizio Marinelli ◽

Giacomo Fiorin

Keyword(s):

Structural Dynamics ◽

Atomistic Simulations

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Nonnucleoside Inhibitors of Adenosine Kinase

Current Pharmaceutical Design ◽

10.2174/1381612043452703 ◽

2004 ◽

Vol 10 (10) ◽

pp. 1093-1103 ◽

Cited By ~ 10

Author(s):

Arthur Gomtsyan ◽

Chih-Hung Lee

Keyword(s):

Adenosine Kinase ◽

Nonnucleoside Inhibitors

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Atomistic Simulations of Ultrashort Pulsed Laser Ablation of Polycrystalline Diamond

Current Nanoscience ◽

10.2174/157341371130900098 ◽

2013 ◽

Vol 9 (6) ◽

pp. 804-811 ◽

Cited By ~ 6

Author(s):

Z. Li ◽

J. Wang ◽

T. Sun

Keyword(s):

Laser Ablation ◽

Pulsed Laser ◽

Polycrystalline Diamond ◽

Pulsed Laser Ablation ◽

Atomistic Simulations ◽

Ultrashort Pulsed Laser

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Atomistic simulations of amorphization processes in ion-implanted Si: roles of defects during amorphization, relaxation, and crystallization

Thin Solid Films ◽

10.1016/0040-6090(95)06950-x ◽

1996 ◽

Vol 272 (2) ◽

pp. 235-243 ◽

Cited By ~ 10

Author(s):

Teruaki Motooka

Keyword(s):

Atomistic Simulations ◽

Ion Implanted

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Atomistic simulations of the thermal conductivity of liquids

Physical Review Materials ◽

10.1103/physrevmaterials.4.053801 ◽

2020 ◽

Vol 4 (5) ◽

Cited By ~ 1

Author(s):

Marcello Puligheddu ◽

Giulia Galli

Keyword(s):

Thermal Conductivity ◽

Atomistic Simulations

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Atomistic simulations to study crack tip behaviour in multi-elemental alloys

Engineering Fracture Mechanics ◽

10.1016/j.engfracmech.2021.107536 ◽

2021 ◽

Vol 243 ◽

pp. 107536

Author(s):

Sandeep Kumar Singh ◽

Avinash Parashar

Keyword(s):

Crack Tip ◽

Atomistic Simulations

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Time dependent boundary conditions for large scale atomistic simulations of Richtmyer-Meshkov instabilities

10.1063/12.0000916 ◽

2020 ◽

Author(s):

J. E. Hammerberg ◽

R. Ravelo ◽

T. C. Germann

Keyword(s):

Boundary Conditions ◽

Large Scale ◽

Time Dependent ◽

Atomistic Simulations

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Relative assessment of different statistical instruments and measures for the prediction of promising outcomes using docking, virtual screening and ADMET analysis against HIV-RT

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2021.1900915 ◽

2021 ◽

pp. 1-13

Author(s):

Hina Shamshad ◽

Maria Saeed ◽

Zaheer Ul-Haq ◽

Sobia Ahsan Halim ◽

Sana Gul ◽

...

Keyword(s):

Virtual Screening ◽

Hiv Rt

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