Molecular Dynamics; Graphene; Nano-Systems - Articles

Molecular Dynamics of Free and Graphite-Supported Pt-Pd Nanoparticles (Articles)

Carlos Fernández-Navarro, Sergio Mejía-Rosales

Advances in Nanoparticles Vol.2 No.4, November 5, 2013

DOI: 10.4236/anp.2013.24044 5,389 Downloads 9,441 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 6,614 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 1,713 Views Citations
Molecular Dynamics (MD) Applications in Materials Science and Engineering and Nanotechnology (Articles)

Rishaad Khan

Journal of Materials Science and Chemical Engineering Vol.11 No.11, November 10, 2023

DOI: 10.4236/msce.2023.1111001 543 Downloads 3,019 Views Citations
Application of a Pulsed Electric Field to Modify the Free Energy of the Active Site of an Azoreductase (Articles)

Jesus Magyber de Jesus Miranda, Pedro Guillermo Reyes-Romero, Jorge Mulia-Rodríguez, Daniel Osorio-González

Journal of Applied Mathematics and Physics Vol.12 No.1, January 31, 2024

DOI: 10.4236/jamp.2024.121019 202 Downloads 677 Views Citations
This article belongs to the Special Issue on Application of Mathematical Models in Physics and Engineering
Optimization and Mechanism Study on Electrothermal Performance of Polypropylene/Antioxidant Composite Systems Based on Molecular Dynamics (Articles)

Feng Bin, Jixiang Feng, Shaobo Liu, Fangwei Liang, Zhensheng Tan, Denghui Jiang

Materials Sciences and Applications Vol.16 No.5, May 21, 2025

DOI: 10.4236/msa.2025.165014 110 Downloads 519 Views Citations
Diffusion in Liquids: Results of Calculations by Molecular Dynamics Method (Articles)

Georgii V. Kharlamov

Journal of Applied Mathematics and Physics Vol.13 No.6, June 30, 2025

DOI: 10.4236/jamp.2025.136121 70 Downloads 436 Views Citations
Structural Characterization of the D-Tyr-tRNA^Tyr Deacylase from Bacillus lichenformis, an Organism of Great Industrial Importance (Articles)

Angshuman Bagchi

Computational Molecular Bioscience Vol.1 No.1, December 28, 2011

DOI: 10.4236/cmb.2011.11001 2,878 Downloads 6,977 Views Citations
DFT Investigation of the Hydrogen Adsorption on Graphene and Graphene Sheet Doped with Osmium and Tungsten (Articles)

Balqees Suliman Alshareef

Open Journal of Physical Chemistry Vol.10 No.4, November 6, 2020

DOI: 10.4236/ojpc.2020.104012 827 Downloads 2,664 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 7,758 Downloads 13,670 Views Citations
Molecular dynamics simulations exploring the interaction between DNA and metalated bleomycin (Articles)

Viraja R. Palwai, Leif A. Eriksson

Journal of Biophysical Chemistry Vol.2 No.2, June 2, 2011

DOI: 10.4236/jbpc.2011.22021 5,858 Downloads 11,282 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 9,163 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 4,640 Downloads 8,702 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
Molecular Simulation of Ion Transport at the Water/Vapor Interface (Articles)

Jalal Dweik, Mahmoud Srour, Khaled Karaky, Marwan Kobeissi, Wissam Joumaa, Khalil Abou-Saleh

Open Journal of Physical Chemistry Vol.2 No.3, August 31, 2012

DOI: 10.4236/ojpc.2012.23020 5,309 Downloads 9,887 Views Citations
Molecular Dynamics Study on Mechanical Properties in the Structure of Self-Assembled Quantum Dot (Articles)

Tatsuya Yamaguchi, Ken-ichi Saitoh

World Journal of Nano Science and Engineering Vol.2 No.4, December 14, 2012

DOI: 10.4236/wjnse.2012.24025 5,533 Downloads 8,443 Views Citations
Validation of the CHARMM27 force field for nucleic acids using 2D nuclear overhauser effect spectroscopy (Articles)

Kirill Zinovjev, Edvards Liepinsh

Journal of Biophysical Chemistry Vol.4 No.2, May 24, 2013

DOI: 10.4236/jbpc.2013.42008 3,266 Downloads 5,520 Views Citations
Structure and Mechanical Behavior of Cellulose Nanofiber and Micro-Fibrils by Molecular Dynamics Simulation (Articles)

Ken-ichi Saitoh, Haruhiko Ohno, Syunichiro Matsuo

Soft Nanoscience Letters Vol.3 No.3, July 16, 2013

DOI: 10.4236/snl.2013.33011 8,749 Downloads 12,228 Views Citations
Biophysical Characterization of Genistein in Its Natural Carrier Human Hemoglobin Using Spectroscopic and Computational Approaches (Articles)

Biswapathik Pahari, Sandipan Chakraborty, Bidisha Sengupta, Sudip Chaudhuri, William Martin, Jasmine Taylor, Jordan Henley, Donald Davis, Pradip K. Biswas, Amit K. Sharma, Pradeep K. Sengupta

Food and Nutrition Sciences Vol.4 No.8A, July 29, 2013

DOI: 10.4236/fns.2013.48A011 5,125 Downloads 8,173 Views Citations
This article belongs to the Special Issue on Antioxidant Research in Food Science
Evaluation of CDK6 and p16/INK4a-Derived Peptides Interaction (Articles)

Andrey Kazennov, Andrey Alekseenko, Vladimir Bozhenko, Tatiana Kulinich, Nikolay Shuvalov, Yaroslav Kholodov

Computational Molecular Bioscience Vol.3 No.3, August 22, 2013

DOI: 10.4236/cmb.2013.33007 3,635 Downloads 6,612 Views Citations

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