Molecular Dynamics; Graphene; Nano-Systems - Articles

Conformational flexibility of the pharmacologically important insulin analogues (Articles)

Olga Ksenofontova, Vasily Stefanov

Advances in Biological Chemistry Vol.3 No.5, October 30, 2013

DOI: 10.4236/abc.2013.35056 5,030 Downloads 7,685 Views Citations
Molecular Dynamic Simulation Study on Glass Transition Temperature of DGEBA-THPA/SWCNTs Composites (Articles)

Cai Jiang, Jianwei Zhang, Shaofeng Lin, Dazhi Jiang

Journal of Materials Science and Chemical Engineering Vol.2 No.1, January 15, 2014

DOI: 10.4236/msce.2014.21005 4,795 Downloads 8,664 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 3,074 Downloads 4,660 Views Citations
Temperature and Pressure Effects on Terahertz Time-Domain Spectroscopy of Crystalline Methedrine by Molecular Dynamics Simulation (Articles)

Yu Xin, Hassan Yousefi Oderji, Ran Hai, Cailong Fu, Raja Aljarmouzi, Hongbin Ding

Advances in Molecular Imaging Vol.4 No.4, October 24, 2014

DOI: 10.4236/ami.2014.44007 3,834 Downloads 5,347 Views Citations
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 3,357 Downloads 4,609 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 2,651 Downloads 3,717 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 1,764 Downloads 3,590 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 1,288 Downloads 3,128 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 745 Downloads 1,976 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 718 Downloads 1,989 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 1,206 Downloads 4,451 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 1,077 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 1,189 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 835 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 816 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 6,094 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 380 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 5,566 Downloads 10,009 Views Citations

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