Molecular Dynamics Simulations - Articles - Scientific Research Publishing

Structure, Plastic Deformation of Polyethylene: A Molecular Dynamics Method (Articles)

Dung Nguyen Trong, Tuan Tran Quoc, Hue Dang Thi Minh, Cuong Nguyen Chinh, Van Duong Quoc

Advances in Materials Physics and Chemistry Vol.10 No.6, June 30, 2020

DOI: 10.4236/ampc.2020.106010 1,206 Downloads 4,450 Views Citations
Particle Modeling Based on Interatomic Potential and Crystal Structure: A Multi-Scale Simulation of Elastic-Plastic Deformation of Metallic Material (Articles)

Ken-Ichi Saitoh, Naoya Hanashiro

World Journal of Nano Science and Engineering Vol.11 No.3, August 17, 2021

DOI: 10.4236/wjnse.2021.113003 551 Downloads 1,838 Views Citations
Mechanistic Insights into Structural Stability of the Selectivity Filters in Typical Cation Channels (Articles)

Zhoubin Tang, Hu Qiu, Wanlin Guo

Journal of Materials Science and Chemical Engineering Vol.10 No.7, July 29, 2022

DOI: 10.4236/msce.2022.107002 264 Downloads 1,075 Views Citations
Study of the Physical and Mechanical Properties of Titanium in Volume by the MEAM Method (Articles)

Yahnn J. Mighensle Mimboui, Alain S. Dzabana Honguelet, Timothée Nsongo

Modeling and Numerical Simulation of Material Science Vol.14 No.1, December 8, 2023

DOI: 10.4236/mnsms.2024.141003 287 Downloads 1,187 Views Citations
Insight of Natural Compounds Halimane Diterpenoids against Mycobacterium tuberculosis: Virtual Screening, DFT, Drug-Likeness, and Molecular Dynamics Approach (Articles)

Laurent Gael Eyia Andiga, Boris Davy Bekono, Désiré Mama Bikele, Pie Pascal Onguéné Amoa, Luc Calvin Owono Owono, Luc Léonard Mbaze Meva’a

Computational Molecular Bioscience Vol.14 No.2, May 7, 2024

DOI: 10.4236/cmb.2024.142003 226 Downloads 834 Views Citations
Computational Insights into Moxifloxacin Resistance Conferred in Asn499 Mutants of Mycobacterium tuberculosis DNA Gyrase (Articles)

MunMyong Choe, ChungIl Ri, ChunHyok Ku, JiUng Hwang, SangIk Pak, Qian Lu

Journal of Biosciences and Medicines Vol.13 No.8, August 15, 2025

DOI: 10.4236/jbm.2025.138013 77 Downloads 409 Views Citations
Virtual Screening and Mechanism Analysis of Effective Components from Several Chinese Herbs to Inhibit dPLA2 of Deinagkistrodon acutus Venom (Articles)

Hongbin Zhang, Xingyang Xiao, Mengyi Lai, Yi Gong, Jianzhong Huang

Pharmacology & Pharmacy Vol.15 No.11, November 13, 2024

DOI: 10.4236/pp.2024.1511021 146 Downloads 815 Views Citations
Hydrodynamic Interactions Introduce Differences in the Behaviour of a Ratchet Dimer Brownian Motor (Articles)

José A. Fornés

Journal of Biomaterials and Nanobiotechnology Vol.6 No.2, March 12, 2015

DOI: 10.4236/jbnb.2015.62008 5,046 Downloads 6,090 Views Citations
Quantum Dynamical Effects in 2-(2-Furyl)-3-Hydroxychromone Using Path Integral Molecular Dynamics (Articles)

Abdallah Brahim Elhadj Ali, Dieudonné Platou Foulla, Yapara Kanabet, Pale Wang-Yang, Daniel Lissouck, Stève-Jonathan Koyambo-Konzapa

Computational Chemistry Vol.14 No.1, November 28, 2025

DOI: 10.4236/cc.2026.141001 60 Downloads 379 Views Citations
Single Adatom Adsorption and Diffusion on Fe Surfaces (Articles)

Changqing Wang, Dahu Chang, Chunjuan Tang, Jianfeng Su, Yongsheng Zhang, Yu Jia

Journal of Modern Physics Vol.2 No.9, September 19, 2011

DOI: 10.4236/jmp.2011.29130 5,565 Downloads 10,006 Views Citations
Multi-Scale Modeling of Metal-Composite Interfaces in Titanium-Graphite Fiber Metal Laminates Part I: Molecular Scale (Articles)

Jacob M. Hundley, H. Thomas Hahn, Jenn-Ming Yang, Andrew B. Facciano

Open Journal of Composite Materials Vol.1 No.1, October 25, 2011

DOI: 10.4236/ojcm.2011.11003 7,738 Downloads 18,854 Views Citations
1,4-DHP-lipid parameters and rod like micellae (Articles)

Inta Liepina, Cezary Czaplewski, Adam Liwo, Gunars Duburs

Journal of Biophysical Chemistry Vol.2 No.4, November 9, 2011

DOI: 10.4236/jbpc.2011.24044 4,156 Downloads 7,894 Views Citations
Melting of Argon Cluster: Dependence of Caloric Curves on MD Simulation Parameters (Articles)

Mohamed Tabti, Adil Eddahbi, Said Ouaskit, Lahcen Elarroum

World Journal of Condensed Matter Physics Vol.2 No.3, August 31, 2012

DOI: 10.4236/wjcmp.2012.23023 4,075 Downloads 7,455 Views Citations
Viscosity of Nanofluids. Why It Is Not Described by the Classical Theories (Articles)

Valery Ya. Rudyak

Advances in Nanoparticles Vol.2 No.3, July 29, 2013

DOI: 10.4236/anp.2013.23037 8,964 Downloads 16,506 Views Citations
Molecular Dynamics Simulations of the DNA-CNT Interaction Process: Hybrid Quantum Chemistry Potential and Classical Trajectory Approach (Articles)

Mirzoaziz A. Khusenov, Ermuhammad B. Dushanov, Kholmirzo T. Kholmurodov

Journal of Modern Physics Vol.5 No.4, February 21, 2014

DOI: 10.4236/jmp.2014.54023 4,137 Downloads 7,171 Views Citations
This article belongs to the Special Issue on Molecular Dynamics Method
Analysis of Activation Energies & Experimental Evidence for Energetic Phase Separation in Ge_xSe_1-xGlassy System (Articles)

Deepak Sharma, Anand Mohan Awasthi

New Journal of Glass and Ceramics Vol.4 No.2, April 28, 2014

DOI: 10.4236/njgc.2014.42005 5,693 Downloads 7,353 Views Citations
Nano-Scale Modelling and Simulation of Metal Wiredrawing by Using Molecular Dynamics Method (Articles)

Ken-ichi Saitoh, Youhei Sameshima, Syuhei Daira

World Journal of Nano Science and Engineering Vol.4 No.2, May 30, 2014

DOI: 10.4236/wjnse.2014.42010 4,711 Downloads 6,410 Views Citations
Molecular Dynamic Study of Pull-In Instability of Nano-Switches (Articles)

Sogand Hoshyarmanesh, Mohsen Bahrami

Advances in Nanoparticles Vol.3 No.3, August 28, 2014

DOI: 10.4236/anp.2014.33017 3,820 Downloads 5,133 Views Citations
Geometrodynamical Analysis to Characterize the Dynamics and Stability of a Molecular System through the Boundary of the Hill’s Region (Articles)

Alberto Vergel, Rosa M. Benito, Juan C. Losada, Florentino Borondo

Applied Mathematics Vol.5 No.16, September 19, 2014

DOI: 10.4236/am.2014.516251 4,427 Downloads 5,618 Views Citations
This article belongs to the Special Issue on Differential Geometry
Molecular Dynamics Simulation of Glass Forming Ability of Al₃₀Co₁₀Amorphous Alloy (Articles)

Chunping Fu, Lingtao Sun, Zhengfu Cheng

Open Journal of Applied Sciences Vol.5 No.9, September 29, 2015

DOI: 10.4236/ojapps.2015.59053 2,973 Downloads 4,566 Views Citations

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