Molecular Dynamics - Articles - Scientific Research Publishing

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 566 Downloads 3,146 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 238 Downloads 731 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 140 Downloads 588 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 94 Downloads 483 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 2,911 Downloads 7,042 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 7,877 Downloads 13,829 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 5,900 Downloads 11,360 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
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 4,709 Downloads 8,803 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 10,946 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 5,334 Downloads 9,954 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 5,583 Downloads 8,539 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 3,314 Downloads 5,597 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 8,859 Downloads 12,401 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 5,165 Downloads 8,287 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 3,686 Downloads 6,700 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 5,064 Downloads 7,739 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 4,831 Downloads 8,742 Views Citations
MD Simulated Microstructure of Liquid Sodium Alloyed with Lead (Articles)

Inessa Yu. Shimkevich, Alexander L. Shimkevich

Materials Sciences and Applications Vol.5 No.8, June 27, 2014

DOI: 10.4236/msa.2014.58058 3,131 Downloads 4,751 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 3,880 Downloads 5,436 Views Citations

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