Molecular Docking Simulation - Articles - Scientific Research Publishing

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 1,354 Downloads 3,444 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 3,643 Downloads 5,290 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 540 Downloads 1,444 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 791 Downloads 2,343 Views Citations
Molecular Dynamics Simulation of Deformation of FCC Bicrystal Nanopillars under Compression (Articles)

Takuya Uehara, Yuki Shigihara

World Journal of Engineering and Technology Vol.13 No.4, November 20, 2025

DOI: 10.4236/wjet.2025.134063 44 Downloads 332 Views Citations
Mapping Ab Initio Physical Theories to Computational Chemistry Methods: The Contributions of Classical Mechanics, Thermodynamics and Statistical Mechanics, Electromagnetism, Relativity, Quantum Mechanics, and Quantum Field Theory (Articles)

Chengze Yang

Open Access Library Journal Vol.13 No.1, January 27, 2026

DOI: 10.4236/oalib.1114709 88 Downloads 458 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 4,110 Downloads 8,115 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 5,291 Downloads 10,937 Views Citations
Molecular Docking Studies of Myricetin and Its Analogues against Human PDK-1 Kinase as Candidate Drugs for Cancer (Articles)

Shalini Singh, Pradeep Srivastava

Computational Molecular Bioscience Vol.5 No.2, June 30, 2015

DOI: 10.4236/cmb.2015.52004 4,823 Downloads 6,981 Views Citations
New Approaches for the Use of Acetoacetanilide in the Synthesis of Thiophenes and Their Fused Derivatives with Anti-Tumor Activity (Articles)

Rafat M. Mohareb, Sherif M. Sherif, Wagnat W. Wardakhan, Amr S. Abouzied

Open Access Library Journal Vol.1 No.8, November 26, 2014

DOI: 10.4236/oalib.1101089 1,412 Downloads 2,441 Views Citations
Computational Analysis of Sulfonamide-Based Compounds by Molecular Docking and ADME/T in the Inhibition of Acetylcholinesterase (AChE) in Alzhaimer’s Disease (Articles)

Cássio Costa Lima, Darlisson Slag Neri Silva, Ézio Raul Alves de Sá

Open Access Library Journal Vol.9 No.3, March 31, 2022

DOI: 10.4236/oalib.1108469 204 Downloads 1,434 Views Citations
Novel 1,3,4-(thiadiazol-2-ylamino) methyl-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-thiones: synthesis, docking and antimycobacterial testing (Articles)

Trupti S. Chitre, Santosh Panda, Shital M Patil, Aparna S. Chothe, G Vignesh, M. K. Kathiravan

Advances in Biological Chemistry Vol.1 No.2, August 22, 2011

DOI: 10.4236/abc.2011.12002 7,776 Downloads 19,949 Views Citations
Molecular Modeling of Chemicals Products Inhibitors of Growth Struvite Crystal (Articles)

Mohamed Beghalia, Hocine Allali, Saïd. Ghalem, Aïssa. Belouatek, Abdelhamid Sari

Advances in Molecular Imaging Vol.1 No.3, October 14, 2011

DOI: 10.4236/ami.2011.13005 5,572 Downloads 15,645 Views Citations
Molecular Docking of 4-Tert-buthyl-bis-(2,6-thiomorpholin-4-ylmethyl)-1-phenol (LQM319) on Fas Receptor (CD95) (Articles)

Oscar Zuñiga, Víctor H. Vázquez, Ana María Velázquez, Víctor H. Abrego, Sandra Díaz-Barriga Arceo, Patricia Ramírez, Roberto Díaz, Enrique Angeles

Journal of Cancer Therapy Vol.4 No.1, February 17, 2013

DOI: 10.4236/jct.2013.41026 4,631 Downloads 7,339 Views Citations
Molecular Modeling of Quinoline-Based Compounds as Potential Dual Inhibitors of Reverse Transcriptase and Integrase of HIV (Articles)

Alberto Cabrera, Leonor Huerta Hernández, Daniel Chávez, José L. Medina-Franco

Computational Molecular Bioscience Vol.8 No.3, August 7, 2018

DOI: 10.4236/cmb.2018.83007 1,066 Downloads 2,358 Views Citations
Trisubstituted Hexahydroimidazo[1,2-α]Pyridine 6 (TIP-6) as a Small-Molecule Inhibitor of Bcl-2 for Inhibition of Proliferation in Hepatoma Cells (Articles)

Wenchao Zhang, Yanlong Pan, Heng Zhou, Xiaofei Gao, Jizu Song, Yuexia Hua, Yuping Du, Jinbo Yang, Xinping Hui, Qin Wang

Journal of Biosciences and Medicines Vol.7 No.1, January 4, 2019

DOI: 10.4236/jbm.2019.71004 778 Downloads 1,574 Views Citations
The Antiviral Efficacy of Withania somnifera (Ashwagandha) against Hepatitis C Virus Activity: In Vitro and in Silico Study (Articles)

Dina Mofed, Wafaa Ahmed, Abdel-Rahman Zekri, Ola Said, Mohamed Rahouma, Ahmed Hassan Ibrahim Faraag

Advances in Microbiology Vol.10 No.9, September 27, 2020

DOI: 10.4236/aim.2020.109035 802 Downloads 5,023 Views Citations
Molecular Weight Determination of a Protease Extracted from Mucor pusillus: Comparison Methods (Articles)

Nouani Abdelouahab, Belhamiche Nabila, Slamani Roza, Belbraouet Slimane, Dako Etienne, Audet Pascal, Bellal Mohand Mouloud

Food and Nutrition Sciences Vol.6 No.3, March 13, 2015

DOI: 10.4236/fns.2015.63035 4,289 Downloads 5,603 Views Citations
Rylene Dielectrophores for Capacitive Energy Storage (Articles)

Andrey Borzenko, Carine Edder, Lev Mourokh, Pavel Lazarev

Materials Sciences and Applications Vol.9 No.6, May 31, 2018

DOI: 10.4236/msa.2018.96038 906 Downloads 2,356 Views Citations
This article belongs to the Special Issue on Electrochemical Materials
Detecting Variation in the Rate of Molecular Evolution in Different Lineages of Mammals (Articles)

Sammer M. Marzouk

Open Journal of Statistics Vol.8 No.5, September 20, 2018

DOI: 10.4236/ojs.2018.85052 1,155 Downloads 2,429 Views Citations

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