Molecular Dynamics MD Simulations - Articles - Scientific Research Publishing

Study on the Interactions of Two Isomer Selaginellins as Novel Small Molecule Inhibitors Targeting PTP1B by Docking and Molecular Dynamics Simulations (Articles)

Li Wang, Yi Wang, Dan Meng, Honglei Li

Open Access Library Journal Vol.5 No.2, February 27, 2018

DOI: 10.4236/oalib.1104277 762 Downloads 2,075 Views Citations
Molecular dynamics simulations of valinomycin interactions with potassium and sodium ions in water solvent (Articles)

Kholmirzo Kholmurodov, Maria Abasheva, Kenji Yasuoka

Advances in Bioscience and Biotechnology Vol.1 No.3, August 16, 2010

DOI: 10.4236/abb.2010.13030 6,178 Downloads 12,501 Views Citations
Molecular Dynamics Simulations of DOPC Lipid Bilayers: The Effect of Lennard-Jones Parameters of Hydrocarbon Chains (Articles)

Anping Liu, Xiaoyang Qi

Computational Molecular Bioscience Vol.2 No.3, September 20, 2012

DOI: 10.4236/cmb.2012.23007 5,494 Downloads 10,721 Views Citations
Molecular Modeling and Molecular Dynamics Simulation Studies on the Selective Binding Mechanism of MTHFD2 Inhibitors (Articles)

Mengyang Qu

Computational Molecular Bioscience Vol.12 No.1, March 7, 2022

DOI: 10.4236/cmb.2022.121001 627 Downloads 1,965 Views Citations
Multi-Scale Modeling of Metal-Composite Interfaces in Titanium-Graphite Fiber Metal Laminates Part I: Molecular Scale (Articles)

Jacob M. Hundley, H. Thomas Hahn, Jenn-Ming Yang, Andrew B. Facciano

Open Journal of Composite Materials Vol.1 No.1, October 25, 2011

DOI: 10.4236/ojcm.2011.11003 7,807 Downloads 18,982 Views Citations
More Stable, More Estrogenic: The SERM-ERα LBD Complex (Articles)

Li Gao, Yaoquan Tu, Leif A. Eriksson

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

DOI: 10.4236/jbpc.2011.23029 4,863 Downloads 9,217 Views Citations
Molecular dynamics simulations of a DNA photolyase protein: High-mobility and conformational changes of the FAD molecule at low temperatures (Articles)

Kholmirzo Kholmurodov, Ermuhammad Dushanov, Kenji Yasuoka

Advances in Bioscience and Biotechnology Vol.3 No.3, June 19, 2012

DOI: 10.4236/abb.2012.33025 5,894 Downloads 10,949 Views Citations
Quantum Dynamical Effects in 2-(2-Furyl)-3-Hydroxychromone Using Path Integral Molecular Dynamics (Articles)

Abdallah Brahim Elhadj Ali, Dieudonné Platou Foulla, Yapara Kanabet, Pale Wang-Yang, Daniel Lissouck, Stève-Jonathan Koyambo-Konzapa

Computational Chemistry Vol.14 No.1, November 28, 2025

DOI: 10.4236/cc.2026.141001 72 Downloads 417 Views Citations
Calmodulin Bound Aquaporin-0 Reveals Two Distinct Energy Profiles (Articles)

L. K. Balcziak, T. H. Bach, L. R. Montgomery, M. E. Warwick, U. Akgun

Computational Molecular Bioscience Vol.6 No.4, December 20, 2016

DOI: 10.4236/cmb.2016.64006 1,617 Downloads 3,358 Views Citations
MD Simulations of the P53 oncoprotein structure: the effect of the Arg273→His mutation on the DNA binding domain (Articles)

Kholmirzo Kholmurodov, Ermuhammad Dushanov, Kenji Yasuoka

Advances in Bioscience and Biotechnology Vol.2 No.5, October 13, 2011

DOI: 10.4236/abb.2011.25048 5,089 Downloads 10,267 Views Citations
Molecular dynamics simulation of the interaction of ethanol-water mixture with a Pt surface (Articles)

Kholmirzo Kholmurodov, Ermuhammad Dushanov, Kenji Yasuoka, Hagar Khalil, Ahmed Galal, Sameh Ahmed, Nasser Sweilam, Hatem Moharram

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

DOI: 10.4236/ns.2011.312126 7,599 Downloads 15,710 Views Citations
The diffusion and concentration effects of formamide on a TiO₂ surface in the presence of a water solvent (Articles)

Ermuhammad Dushanov, Kholmirzo Kholmurodov, Kenji Yasuoka

Natural Science Vol.4 No.5, May 18, 2012

DOI: 10.4236/ns.2012.45044 5,678 Downloads 10,071 Views Citations
Impact of Mutations on K-Ras-p120GAP Interaction (Articles)

Chunxia Gao, Leif A. Eriksson

Computational Molecular Bioscience Vol.3 No.2, May 30, 2013

DOI: 10.4236/cmb.2013.32002 5,112 Downloads 9,786 Views Citations
Thymidine Glycol: The Effect on DNA Structure and DNA Binding by Site-Specific Proteins (Articles)

Elena A. Kubareva, Fan Yang, Alexandra Yu. Ryazanova, Nina G. Dolinnaya, Andrei V. Golovin, Nikolai V. Molochkov, Elena A. Romanova, Elizaveta A. Karpova, Timofei S. Zatsepin, Tatiana S. Oretskaya

Natural Science Vol.7 No.11, November 16, 2015

DOI: 10.4236/ns.2015.711051 5,532 Downloads 7,004 Views Citations
Tunable Energetic Stabilization Governs Self- and Mixed-Aggregation of Möbius and Bracelet Cyclotides (Articles)

Nithikumar R. Yadav, Eric N. Njabon, Issofa Patouossa, Neville Y. Forlemu

Computational Chemistry Vol.14 No.2, March 20, 2026

DOI: 10.4236/cc.2026.142002 76 Downloads 289 Views Citations
Molecular Dynamics Simulations of Perovskites: The Effect of Potential Function Representation on Equilibrium Structural Properties (Articles)

Kholmirzo T. Kholmurodov, Sagille A. Ibragimova, Pavel P. Gladishev, Anatoly V. Vannikov, Alexey R. Tameev, Tatyana Yu. Zelenyak

Open Journal of Physical Chemistry Vol.5 No.4, November 12, 2015

DOI: 10.4236/ojpc.2015.54012 6,033 Downloads 8,562 Views Citations
Effects of Surface Charges on the Seawater Desalination Using Functionalized Graphene (Articles)

Yue Chan, Yong Ren

Journal of Applied Mathematics and Physics Vol.4 No.4, April 13, 2016

DOI: 10.4236/jamp.2016.44066 2,572 Downloads 3,976 Views Citations
Quantum molecular dynamics simulation formultifragmentation resulting from an expandingnuclear matter (Articles)

Atef Abdel-hafiez, M. A. Khalifa, A. Abd El-Daiem

Natural Science Vol.3 No.7, July 25, 2011

DOI: 10.4236/ns.2011.37082 5,142 Downloads 9,451 Views Citations
A Network Analysis of Skill Game Dynamics (Articles)

Rohit Raturi, Kumar Attangudi Perichiappan Perichappan

Journal of Computer and Communications Vol.6 No.4, April 28, 2018

DOI: 10.4236/jcc.2018.64008 886 Downloads 2,228 Views Citations
Detection of Partial and Extended Blockages: A Case Study of Edible Oil Pipeline System (Articles)

Babatunde Victor Omidiji, Ayodele Abeeb Daniyan, Adeniyi Taiwo, Kunle Michael Oluwasegun

Journal of Minerals and Materials Characterization and Engineering Vol.12 No.3, May 15, 2024

DOI: 10.4236/jmmce.2024.123013 256 Downloads 1,179 Views Citations

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