Molecular Dynamics; Graphene; Nano-Systems - Articles

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 7,314 Views Citations
This article belongs to the Special Issue on Molecular Dynamics Method
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 1,073 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
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
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 756 Downloads 2,034 Views Citations
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 3,255 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 138 Downloads 777 Views Citations
Force Field Based MM2 Molecule-Surface Binding Energies for Graphite and Graphene (Articles)

Jae H. Son, Thomas R. Rybolt

Graphene Vol.2 No.1, January 24, 2013

DOI: 10.4236/graphene.2013.21004 5,650 Downloads 9,868 Views Citations
Modeling Enhanced Adsorption of Explosive Molecules on a Hydroxylated Graphene Pore (Articles)

Ronald Scott Holt, Thomas R. Rybolt

Graphene Vol.8 No.1, January 31, 2019

DOI: 10.4236/graphene.2019.81001 837 Downloads 1,924 Views Citations
Polycyclic Aromatic Hydrocarbon Molecule-Surface Binding Energies in Site Specific Graphene Bilayer Nanopores: A Puzzle-ene Force Field Calculation (Articles)

Thomas R. Rybolt, Claire B. Black

Graphene Vol.6 No.3, July 13, 2017

DOI: 10.4236/graphene.2017.63006 1,498 Downloads 3,285 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
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 10,069 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 1,885 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 6,121 Downloads 12,397 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 11,584 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
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 5,439 Downloads 10,609 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 7,688 Views Citations

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