Molecular Docking Simulation - Articles - Scientific Research Publishing

Predictions in Clinical Efficiency of SARS-CoV-2 RNA-Dependent RNA Polymerase (RdRp) Inhibitors by Molecular Docking (Articles)

Pui-Jen Tsai

Journal of Biosciences and Medicines Vol.12 No.10, October 17, 2024

DOI: 10.4236/jbm.2024.1210016 71 Downloads 464 Views Citations
In Silico Inhibitory Potential of Isolated Molecules of Scoparia dulcis L. (Scrophulariaceae) on SARS-CoV-2 Main Protease M^pro (Articles)

Moussa Ouedraogo, Windbedema Prisca Ouedraogo, Hermann W. Yameogo, Inna T. Traore, Raïnatou Boly, Noufou Ouedraogo, Rasmané Semde, Sylvin Ouedraogo

Pharmacology & Pharmacy Vol.16 No.2, February 10, 2025

DOI: 10.4236/pp.2025.162003 115 Downloads 738 Views Citations
Exploring the Mechanism of the Anti-Aging Effects of Ganoderma lucidum Based on Network Pharmacology and Molecular Docking II (Articles)

Peixuan Hu, Jiangwei Tian, Hua Li

Advances in Aging Research Vol.14 No.5, August 27, 2025

DOI: 10.4236/aar.2025.145008 97 Downloads 1,250 Views Citations
Entrectinib in Lung Adenocarcinoma: Network Toxicology Identification of Prognostic Genes, Toxicity Targets and Combination Drugs (Articles)

Yanting Xiao, Bin Ning, Fangwei Xiong, Jiale Shao, Liangcheng Huang

Journal of Biosciences and Medicines Vol.14 No.6, June 2, 2026

DOI: 10.4236/jbm.2026.146001 1 Downloads 29 Views Citations
Study of Ni/Al Interface Diffusion by Molecular Dynamics Simulation (Articles)

Chunguang Zhang, Hao Wang, Yishen Qiu

Engineering Vol.3 No.3, March 7, 2011

DOI: 10.4236/eng.2011.33026 5,706 Downloads 10,407 Views Citations
Human Prion Protein Conformational Changes Susceptibility: A Molecular Dynamics Simulation Study (Articles)

Laura Alejandra Mandujano-Rosas, Daniel Osorio-González, Pedro Guillermo Reyes-Romero, Jorge Mulia-Rodríguez

Open Journal of Biophysics Vol.4 No.4, October 31, 2014

DOI: 10.4236/ojbiphy.2014.44016 4,558 Downloads 6,605 Views Citations
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 585 Downloads 1,711 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 2,741 Downloads 5,264 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 7,755 Downloads 13,665 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 5,421 Downloads 11,940 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 4,639 Downloads 8,698 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 3,717 Downloads 6,711 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 5,030 Downloads 7,684 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 4,795 Downloads 8,662 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 3,834 Downloads 5,344 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 2,651 Downloads 3,716 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 1,764 Downloads 3,588 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 2,125 Downloads 4,937 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 4,830 Downloads 9,154 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 3,820 Downloads 5,133 Views Citations

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