Molecular Dynamics Simulations - Articles - Scientific Research Publishing

Interaction of Cationic and Anionic Phthalocyanines with Adenosine Deaminase, Molecular Dynamics Simulation and Docking Studies (Articles)

Davood Ajloo, Seyyed Morteza Fazeli, Farhad Janbaz Amirani

Computational Molecular Bioscience Vol.3 No.4, December 19, 2013

DOI: 10.4236/cmb.2013.34010 5,778 Downloads 10,068 Views Citations
Molecular dynamics simulations of the interaction of carbon nanotube and a carbon disulfide solvent (Articles)

Kholmirzo Kholmurodov, Guzel Aru, Kenji Yasuoka

Natural Science Vol.2 No.8, August 25, 2010

DOI: 10.4236/ns.2010.28111 6,153 Downloads 11,583 Views Citations
Study of Ni/Al Interface Diffusion by Molecular Dynamics Simulation (Articles)

Chunguang Zhang, Hao Wang, Yishen Qiu

Engineering Vol.3 No.3, March 7, 2011

DOI: 10.4236/eng.2011.33026 5,707 Downloads 10,408 Views Citations
Learning Probabilistic Models of Hydrogen Bond Stability from Molecular Dynamics Simulation Trajectories (Articles)

Igor Chikalov, Peggy Yao, Mikhail Moshkov, Jean-Claude Latombe

Journal of Intelligent Learning Systems and Applications Vol.3 No.3, August 5, 2011

DOI: 10.4236/jilsa.2011.33017 5,472 Downloads 10,409 Views Citations
NAMD Package Benchmarking on the Base of Armenian Grid Infrastructure (Articles)

Armen Poghosyan, Levon Arsenyan, Hrachya Astsatryan, Mikayel Gyurjyan, Hovsep Keropyan, Aram Shahinyan

Communications and Network Vol.4 No.1, February 27, 2012

DOI: 10.4236/cn.2012.41005 5,249 Downloads 8,746 Views Citations
Thermally induced gelation of alumina shaping-neutron scattering and rheological measurements (Articles)

Papiya Biswas, Kotikalapudi Rajeswari, Somasani Chaitanya, Roy Johnson, Swapnil A. Prabhudesai, Veerendra K. Sharma, Subhankur Mitra, Ramaprosad Mukhopadhyay

Open Journal of Inorganic Chemistry Vol.3 No.2, April 30, 2013

DOI: 10.4236/ojic.2013.32007 4,012 Downloads 7,687 Views Citations
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 9,439 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 6,610 Views Citations
Growth of Graphene Nanocoil in a SiC Container: A Molecular Dynamics Study (Articles)

Swastibrata Bhattacharyya, Shotaro Otake, Shota Ono, Riichi Kuwahara, Kaoru Ohno

Advances in Materials Physics and Chemistry Vol.6 No.5, May 12, 2016

DOI: 10.4236/ampc.2016.65012 2,977 Downloads 4,673 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
Property Analysis of SiC-Crystals Grafted with Graphene Using Molecular Dynamics Simulations (Articles)

Taraneh Lewtschenko, Maya Pagel, Niklas Wenzel, Christina Oligschleger

Journal of Materials Science and Chemical Engineering Vol.10 No.11, November 10, 2022

DOI: 10.4236/msce.2022.1011001 254 Downloads 1,071 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 3,011 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 676 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 518 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 435 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 6,976 Views Citations
Unfolded annealing molecular dynamics conformers for wild-type and disease-associated variants of alpha-synuclein show no propensity for beta-sheetformation (Articles)

D. Balesh, Z. Ramjan, W.B. Floriano

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

DOI: 10.4236/jbpc.2011.22015 5,603 Downloads 10,921 Views Citations
Computational Investigation of the Interaction of Anti-Influenza Drugs with CoVID-19 Protein (Articles)

Kassim F. Adebambo

Computational Molecular Bioscience Vol.10 No.2, May 20, 2020

DOI: 10.4236/cmb.2020.102003 887 Downloads 2,369 Views Citations
Anchor-Shaped Design of a Submerged Entry Nozzle for the Continuous Casting of Steel (Articles)

Carlos A. Hernandez, Miguel A. Barron, Raul Miranda

Open Journal of Applied Sciences Vol.6 No.9, September 6, 2016

DOI: 10.4236/ojapps.2016.69058 2,303 Downloads 4,170 Views Citations
Computer Analysis of a Methane Fired Crucible Furnace (Articles)

Fernando Santiago, Miguel A. Barron, Isaias Hilerio, Dulce Y. Medina

Open Journal of Applied Sciences Vol.8 No.6, June 25, 2018

DOI: 10.4236/ojapps.2018.86017 877 Downloads 2,055 Views Citations

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