CHARACTERIZATION OF COARSE GRAIN MOLECULAR DYNAMIC SIMULATION PERFORMANCE ON GRAPHIC PROCESSING UNIT ARCHITECTURES

Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms ◽

10.5220/0003790703390342 ◽

2012 ◽

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Graphic Processing Unit ◽

Coarse Grain ◽

Processing Unit ◽

Simulation Performance ◽

Graphic Processing

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Molecular dynamic simulation of micellar solutions: A coarse-grain model

Colloid Journal ◽

10.1134/s1061933x08010018 ◽

2008 ◽

Vol 70 (1) ◽

pp. 1-5 ◽

Cited By ~ 14

Author(s):

S. V. Burov ◽

N. P. Obrezkov ◽

A. A. Vanin ◽

E. M. Piotrovskaya

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Coarse Grain ◽

Micellar Solutions ◽

Grain Model

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Molecular size characterization of heavy oil fractions in vacuum and solution by molecular dynamic simulation

Frontiers of Chemical Engineering in China ◽

10.1007/s11705-009-0281-7 ◽

2010 ◽

Vol 4 (3) ◽

pp. 250-256 ◽

Cited By ~ 4

Author(s):

Wenpo Ren ◽

Honggang Chen ◽

Chaohe Yang ◽

Honghong Shan

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Heavy Oil ◽

Molecular Size ◽

Oil Fractions ◽

Size Characterization

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Molecular dynamic simulation and characterization of self-assembled monolayer under sliding friction

Computational Materials Science ◽

10.1016/j.commatsci.2006.10.004 ◽

2007 ◽

Vol 39 (4) ◽

pp. 808-816 ◽

Cited By ~ 16

Author(s):

Cheng-Da Wu ◽

Jen-Fin Lin ◽

Te-Hua Fang

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Sliding Friction ◽

Self Assembled Monolayer ◽

Self Assembled

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Comparative Characterization of Relaxed Organic–Inorganic Hybrid Perovskite Structures Using Molecular Dynamic Simulation and X-ray Diffraction Data

High Energy Chemistry ◽

10.1134/s0018143918050168 ◽

2018 ◽

Vol 52 (5) ◽

pp. 433-439 ◽

Cited By ~ 2

Author(s):

T. Yu. Zelenyak ◽

Kh. R. Rakhmonov ◽

Kh. T. Kholmurodov ◽

P. P. Gladyshev ◽

A. R. Tameev

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Diffraction Data ◽

X Ray Diffraction ◽

Inorganic Hybrid ◽

X Ray ◽

Comparative Characterization ◽

Hybrid Perovskite

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A coarse-grain MD (molecular dynamic) simulation of PCL–PEG and PLA–PEG aggregation as a computational model for prediction of the drug-loading efficacy of doxorubicin

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2018.1541762 ◽

2019 ◽

Vol 37 (16) ◽

pp. 4215-4221 ◽

Cited By ~ 1

Author(s):

Seyed Mohammad Ebrahim Kamrani ◽

Farzin Hadizadeh

Keyword(s):

Computational Model ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Drug Loading ◽

Coarse Grain

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Characterization of Antimicrobial Peptide–Membrane Interaction Using All-Atom Molecular Dynamic Simulation

Springer Protocols Handbooks - Immunity in Insects ◽

10.1007/978-1-0716-0259-1_10 ◽

2020 ◽

pp. 163-176

Author(s):

Shruti Mukherjee ◽

Rajiv K. Kar ◽

Anirban Bhunia

Keyword(s):

Antimicrobial Peptide ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Membrane Interaction

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From All Atom to Coarse Grain: Molecular Dynamic Simulation of Imprinting Process on a Silica Xerogel

10.3390/mol2net-04-06006 ◽

2018 ◽

Author(s):

Riccardo Concu ◽

Maria Natalia Dias Soeiro Cordeiro

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Silica Xerogel ◽

Coarse Grain

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P-gp Lipid Uptake Pathways Determined by Coarse-Grain Molecular Dynamic Simulation

Biophysical Journal ◽

10.1016/j.bpj.2016.11.2100 ◽

2017 ◽

Vol 112 (3) ◽

pp. 386a

Author(s):

Estefania Barreto Ojeda ◽

Valentina Corradi ◽

Ruo-Xu Gu ◽

Peter Tieleman

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Coarse Grain ◽

Lipid Uptake

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Growth and structural characterization of thin Ge films by molecular dynamic simulation

Materials Science and Engineering B ◽

10.1016/0921-5107(94)90188-0 ◽

1994 ◽

Vol 26 (1) ◽

pp. 61-65

Author(s):

A. Spinelli ◽

L. Colombo

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Structural Characterization

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Molecular Dynamic Simulation and Spectroscopic Investigation of Some Cytotoxic Palladium(II) Complexes Interaction with Human Serum Albumin

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207317666140926124647 ◽

2014 ◽

Vol 17 (9) ◽

pp. 781-789 ◽

Cited By ~ 4

Author(s):

Mahboube Eslami Moghadam ◽

Maryam Saidifar ◽

Faramarz Rostami-Charati ◽

Davoud Ajloo ◽

Maryam Ghadamgahi

Keyword(s):

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Spectroscopic Investigation

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