Molecular Dynamics - Articles - Scientific Research Publishing

DNA Methyltransferases Directed Anti-Cancerous Plant Medicine (Xanthomicrol and Galloyl) Based Molecular Docking and Dynamics Simulation (Articles)

Ehsan Heidari Soureshjani, Ali Kazemi Babaheydari, Elahe Saberi

Computational Molecular Bioscience Vol.5 No.2, June 30, 2015

DOI: 10.4236/cmb.2015.52003 3,389 Downloads 4,675 Views Citations
Investigation of Size Effects on the Al Nanoclusters Physical Properties via Molecular Dynamics Simulations (Articles)

Mohammad Reza Sovizi, Ali Reza Madram

Open Access Library Journal Vol.1 No.3, June 11, 2014

DOI: 10.4236/oalib.1100473 2,673 Downloads 3,779 Views Citations
Molecular Dynamics Simulation of Interaction of Short Lysine Brush and Oppositely Charged Semax Peptides (Articles)

Elena Popova, Boris Okrugin, Igor Neelov

Natural Science Vol.8 No.12, November 29, 2016

DOI: 10.4236/ns.2016.812051 1,800 Downloads 3,684 Views Citations
A Molecular Dynamics Study on the Effects of Lattice Defects on the Phase Transformation from BCC to FCC Structures (Articles)

Takuya Uehara

Materials Sciences and Applications Vol.10 No.8, August 16, 2019

DOI: 10.4236/msa.2019.108039 1,324 Downloads 3,255 Views Citations
A Molecular Dynamics Approach for Optimizing Beam Intensities in IMPT Treatment Planning (Articles)

Li Liao, Gino J. Lim, Xiaodong Zhang

Journal of Applied Mathematics and Physics Vol.7 No.9, September 28, 2019

DOI: 10.4236/jamp.2019.79146 772 Downloads 2,065 Views Citations
Molecular Dynamics Study on Transmission Mechanism of Torsional Deformation in Cellulose Nanofibers with Hierarchical Structure (Articles)

Kentaro Takada, Ken-Ichi Saitoh, Tomohiro Sato, Masanori Takuma, Yoshimasa Takahashi

Soft Nanoscience Letters Vol.9 No.4, October 24, 2019

DOI: 10.4236/snl.2019.94004 748 Downloads 2,073 Views Citations
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 1,242 Downloads 4,584 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 589 Downloads 1,929 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 291 Downloads 1,147 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 312 Downloads 1,304 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 261 Downloads 894 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 85 Downloads 441 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 171 Downloads 897 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 5,071 Downloads 6,163 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 72 Downloads 416 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 5,621 Downloads 10,130 Views Citations
MD Simulations of the P53 oncoprotein structure: the effect of the Arg273→His mutation on the DNA binding domain (Articles)

Kholmirzo Kholmurodov, Ermuhammad Dushanov, Kenji Yasuoka

Advances in Bioscience and Biotechnology Vol.2 No.5, October 13, 2011

DOI: 10.4236/abb.2011.25048 5,089 Downloads 10,267 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 7,807 Downloads 18,981 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 4,199 Downloads 7,964 Views Citations
Molecular dynamics simulation of the interaction of ethanol-water mixture with a Pt surface (Articles)

Kholmirzo Kholmurodov, Ermuhammad Dushanov, Kenji Yasuoka, Hagar Khalil, Ahmed Galal, Sameh Ahmed, Nasser Sweilam, Hatem Moharram

Natural Science Vol.3 No.12, December 16, 2011

DOI: 10.4236/ns.2011.312126 7,599 Downloads 15,710 Views Citations

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