Implicit; Explicit; Solvation; Molecular Dynamics Simulation; Neuraminidase; Sialic Acid - Articles

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 3,870 Downloads 7,295 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 5,243 Downloads 8,958 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 2,857 Downloads 4,184 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 164 Downloads 636 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 343 Downloads 1,912 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 128 Downloads 375 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 10 Downloads 91 Views Citations
The Physics of the Phenomena of Electrical Induced Elements Separation in Solution of Salts in Liquid Polar Dielectric (Articles)

Mishik A. Kazaryan, Igor V. Shamanin

Open Journal of Physical Chemistry Vol.2 No.1，February 28, 2012

DOI: 10.4236/ojpc.2012.21009 3,592 Downloads 6,878 Views Citations
Characterization of Amino Acid Based Molecular Micelles with Molecular Modeling (Articles)

Alexander Billiot, Yayin Fang, Kevin F. Morris

Open Journal of Physical Chemistry Vol.9 No.4，November 29, 2019

DOI: 10.4236/ojpc.2019.94014 576 Downloads 1,518 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 2,747 Downloads 6,661 Views Citations
StochSD: A Full Potential CSS Language for Dynamic and Stochastic Modelling, Simulation and Statistical Analysis (Articles)

Leif Gustafsson, Erik Gustafsson, Magnus Gustafsson

Open Journal of Modelling and Simulation Vol.10 No.2，April 29, 2022

DOI: 10.4236/ojmsi.2022.102012 212 Downloads 1,314 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 5,698 Downloads 10,731 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 4,664 Downloads 8,706 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 5,742 Downloads 10,240 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 5,341 Downloads 7,966 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 3,126 Downloads 5,097 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 8,407 Downloads 11,381 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 4,959 Downloads 7,613 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 3,428 Downloads 6,137 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 2,951 Downloads 4,226 Views Citations

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