Molecular Dynamics 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 755 Downloads 2,030 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 6,118 Downloads 12,393 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 5,437 Downloads 10,600 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 591 Downloads 1,883 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 4,831 Downloads 9,161 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 5,872 Downloads 10,863 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 5,059 Downloads 10,185 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 7,536 Downloads 15,605 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 5,635 Downloads 9,972 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 5,057 Downloads 9,675 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 5,509 Downloads 6,929 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 46 Downloads 204 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 5,092 Downloads 9,369 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 856 Downloads 2,165 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 231 Downloads 1,088 Views Citations
Spectral Modifications of Graphene Using Molecular Dynamics Simulations (Articles)

David Liesegang, Christina Oligschleger

Journal of Modern Physics Vol.5 No.4, February 21, 2014

DOI: 10.4236/jmp.2014.54025 4,426 Downloads 7,313 Views Citations
This article belongs to the Special Issue on Molecular Dynamics Method
Molecular Dynamics Simulation of Mechanical Properties for α-SiO₂ Crystal (Articles)

Jierong Guo, Lei Ma

Journal of Modern Physics Vol.10 No.6, April 26, 2019

DOI: 10.4236/jmp.2019.106040 1,382 Downloads 3,251 Views Citations
Properties of Selenium under Tensile Stretch: A Molecular Dynamics Simulation (Articles)

Philipp Baumgart, Katharina Berlin, Angelika Bogatyrev, John Kappelmaier, Ida Kemmer, Roland Rest, Vincent Salz, Jente Schienke, Emely Wiesner, Christina Oligschleger

Journal of Materials Science and Chemical Engineering Vol.13 No.3, March 25, 2025

DOI: 10.4236/msce.2025.133003 137 Downloads 775 Views Citations
In Silico Molecular Interaction Studies of Suberoylanilide Hydroxamic Acid and Its Modified Compounds with Histones Deacetylase Class II Homo sapiens as Curative Measure towards Cervical Cancer (Articles)

Usman Sumo Friend Tambunan, Arli Aditya Parikesit, Tirtana Prasetia, Djati Kerami

Engineering Vol.5 No.10B, October 31, 2013

DOI: 10.4236/eng.2013.510B043 3,061 Downloads 4,944 Views Citations
Prediction of a neutralizing epitope of a H5N1 virus hemagglutinin complexed with an antibody variable fragment using molecular dynamics simulation (Articles)

Cenmidtal C. Mulyanto, Rosari Saleh

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

DOI: 10.4236/jbpc.2011.23031 4,745 Downloads 9,365 Views Citations

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