Molecular Docking Simulation - Articles - Scientific Research Publishing

Study on Helium Bubble Coalescence in Titanium with Dislocations (Articles)

Baoling Zhang, Xue Su, Chongyang Li, Junwei Zhang

World Journal of Nuclear Science and Technology Vol.11 No.2，April 1, 2021

DOI: 10.4236/wjnst.2021.112005 469 Downloads 1,333 Views Citations
Computational Analyses of Docosahexaenoic Acid (DHA, C22:6, n-3) with Alzheimer’s Disease-Causing Amyloid Peptide Aβ_1-42 Reassures Its Therapeutic Utility (Articles)

Michio Hashimoto, Shahdat Hossain, Kentaro Matsuzaki, Abdullah Al Mamun, Hiroyuki Arai, Osamu Shido

Advances in Alzheimer's Disease Vol.5 No.2，June 29, 2016

DOI: 10.4236/aad.2016.52006 2,625 Downloads 4,750 Views Citations
A Study of thermal decomposition in cellulose by molecular dynamics simulation (Articles)

Chao Liu, De-Zheng Jiang, Shun-An Wei, Jin-Bao Huang

Natural Science Vol.1 No.1，July 2, 2009

DOI: 10.4236/ns.2009.11008 7,307 Downloads 12,859 Views Citations
Molecular dynamics simulation analyses of viral fusion peptides in membranes prone to phase transition: effects on membrane curvature, phase behavior and lipid-water interface destabilization (Articles)

Manami Nishizawa, Kazuhisa Nishizawa

Journal of Biophysical Chemistry Vol.1 No.1，June 1, 2010

DOI: 10.4236/jbpc.2010.11003 5,281 Downloads 11,342 Views Citations
Pathogenicity characterization with implicit and explicit molecular dynamics simulation (Articles)

Sigit Jaya Herlambang, Rosari Saleh

Natural Science Vol.3 No.12，December 16, 2011

DOI: 10.4236/ns.2011.312127 4,453 Downloads 8,225 Views Citations
Quantum Simulation of 2p-π Electronic Hamiltonian in Molecular Ethylene by Using an NMR Quantum Computer (Articles)

Deniz Türkpençe, Azmi Gençten

Journal of Quantum Information Science Vol.3 No.2，June 13, 2013

DOI: 10.4236/jqis.2013.32012 3,540 Downloads 6,150 Views Citations
Conformational flexibility of the pharmacologically important insulin analogues (Articles)

Olga Ksenofontova, Vasily Stefanov

Advances in Biological Chemistry Vol.3 No.5，October 30, 2013

DOI: 10.4236/abc.2013.35056 4,891 Downloads 7,325 Views Citations
Molecular Dynamic Simulation Study on Glass Transition Temperature of DGEBA-THPA/SWCNTs Composites (Articles)

Cai Jiang, Jianwei Zhang, Shaofeng Lin, Dazhi Jiang

Journal of Materials Science and Chemical Engineering Vol.2 No.1，January 15, 2014

DOI: 10.4236/msce.2014.21005 4,586 Downloads 8,043 Views Citations
Temperature and Pressure Effects on Terahertz Time-Domain Spectroscopy of Crystalline Methedrine by Molecular Dynamics Simulation (Articles)

Yu Xin, Hassan Yousefi Oderji, Ran Hai, Cailong Fu, Raja Aljarmouzi, Hongbin Ding

Advances in Molecular Imaging Vol.4 No.4，October 24, 2014

DOI: 10.4236/ami.2014.44007 3,704 Downloads 4,922 Views Citations
Investigation of Size Effects on the Al Nanoclusters Physical Properties via Molecular Dynamics Simulations (Articles)

Mohammad Reza Sovizi, Ali Reza Madram

Open Access Library Journal Vol.1 No.3，June 11, 2014

DOI: 10.4236/oalib.1100473 2,487 Downloads 3,256 Views Citations
Molecular Dynamics Simulation of Interaction of Short Lysine Brush and Oppositely Charged Semax Peptides (Articles)

Elena Popova, Boris Okrugin, Igor Neelov

Natural Science Vol.8 No.12，November 29, 2016

DOI: 10.4236/ns.2016.812051 1,632 Downloads 3,155 Views Citations
Molecular Docking and ADMET Study of Emodin Derivatives as Anticancer Inhibitors of NAT2, COX2 and TOP1 Enzymes (Articles)

Daniel M. Shadrack, Valence M. K. Ndesendo

Computational Molecular Bioscience Vol.7 No.1，March 16, 2017

DOI: 10.4236/cmb.2017.71001 1,966 Downloads 4,361 Views Citations
Effect of disulfide bridges deletion on the conformation of the androctonin, polyphemusin-I, and thanatin antimicrobial peptides: molecular dynamics simulation studies (Articles)

Jorge Ricardo Moreira Castro, Carlos Alessando Fuzo, Léo Degrève

Journal of Biophysical Chemistry Vol.2 No.3，August 9, 2011

DOI: 10.4236/jbpc.2011.23030 4,686 Downloads 8,691 Views Citations
Molecular Dynamic Study of Pull-In Instability of Nano-Switches (Articles)

Sogand Hoshyarmanesh, Mohsen Bahrami

Advances in Nanoparticles Vol.3 No.3，August 28, 2014

DOI: 10.4236/anp.2014.33017 3,702 Downloads 4,748 Views Citations
Computational and Experimental Analyses of Detachment Force at the Interface between Carbon Fibers and Epoxy Resin (Articles)

Kazuki Mori, Nobuhiko Matsumoto, Sukeharu Nomoto, Kenji Tsuruta

Open Journal of Composite Materials Vol.7 No.4，July 27, 2017

DOI: 10.4236/ojcm.2017.74011 1,169 Downloads 2,859 Views Citations
This article belongs to the Special Issue on Composite Interface and Damages
Molecular Dynamics Simulation of Grain Refinement in a Polycrystalline Material under Severe Compressive Deformation (Articles)

Takuya Uehara

Materials Sciences and Applications Vol.8 No.12，November 25, 2017

DOI: 10.4236/msa.2017.812067 3,488 Downloads 4,737 Views Citations
Clusters Deposition on Surface an Atomic Scale Study by Computer Simulation Method (Articles)

Akbarali Rasulov, Nodirbek Ibroximov

Journal of Applied Mathematics and Physics Vol.7 No.10，October 14, 2019

DOI: 10.4236/jamp.2019.710156 436 Downloads 1,047 Views Citations
Numerical Evaluation of the Surface Energy of Polyhedral Nanoparticles (Articles)

Takuya Uehara, Junya Fujiwara

Materials Sciences and Applications Vol.11 No.12，December 17, 2020

DOI: 10.4236/msa.2020.1112055 650 Downloads 1,762 Views Citations
Molecular Recognition of Human Telomeric DNA by Phenanthroline-Based G-Quadruplex Ligands (Articles)

Anna Artese, Lucia Parrotta, Stefano Alcaro, Francesco Ortuso, Giosuè Costa, Claudia Sissi

Open Journal of Medicinal Chemistry Vol.3 No.2，June 17, 2013

DOI: 10.4236/ojmc.2013.32006 3,947 Downloads 7,678 Views Citations
Glutathione transferase-P1-1 binding with naturally occurring ligands: assessment by docking simulations (Articles)

Anupam J. Das, Sreeda Chalil, Poonam Nigam, Pamela Magee, Omar Janneh, Richard Owusu-Apenten

Journal of Biophysical Chemistry Vol.2 No.4，November 9, 2011

DOI: 10.4236/jbpc.2011.24046 5,066 Downloads 10,403 Views Citations

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