List of Articles molecular dynamics Open Access Article Abstract Page Full-Text 1 - Numerical investigation of the fullerene and doped fullerene effects on thermal performance of water base-fluid Ahmad Saadi Hamid Reza Vanaie Mojtaba Yaghobi Ebrahim Heidari Darush Masti 10.57647/j.jtap.2023.1701.13 Open Access Article Abstract Page Full-Text 2 - The Molecular Docking and Molecular Dynamics Simulation of Some HIV-1 protease Inhibitors For the treatment of Coronavirus Disease-19 ghasem ghasemi babak motahary robabe Sayadikordabadi Asghar Alizadehdakhel 10.30495/jptc.2023.65656.1233 Open Access Article Abstract Page Full-Text 3 - Molecular Dynamics Simulation of Water Transportation through Aquaporin-4 in Rat Brain Cells F. Kaveh K. zare S. Salemi A. R. Illchani N. Khodayari Open Access Article Abstract Page Full-Text 4 - Molecular dynamics simulation of interaction of Melittin and DMPC bilayer: Temperature dependence F. Kaveh H. Pasdar Open Access Article Abstract Page Full-Text 5 - Investigation of Monte Carlo, Molecular Dynamic and Langevin dynamic simulation methods for Albumin- Methanol system and Albumin-Water system M. Monajjemi N. Dalili Mansour A. Kazemi Babaheydari M. Khaleghian Open Access Article Abstract Page Full-Text 6 - Gyration Radius and Energy Study at Different Temperatures for Acetylcholine Receptor Protein in Gas Phase by Monte Carlo, Molecular and Langevin Dynamics Simulations M. Monajjemi A. R. Oliaey Open Access Article Abstract Page Full-Text 7 - Energy study at different solvents for potassium Channel Protein by Monte Carlo, Molecular and Langevin Dynamics Simulations F. Mollaamin T. Nejadsattari I. Layali Open Access Article Abstract Page Full-Text 8 - Molecular Modeling Studies on Vinblastine Binding Site of Tubulin for Antimitotic agents Z. Varmaghani F. Mollaamin L. Pishkar B. Khalili Hadda Open Access Article Abstract Page Full-Text 9 - Investigation of Different Solvents and Temperatures Effects on (3,7) Single-Walled Carbon Nanotubes: DFT Study M. Monajjemi M. Khaleghian Open Access Article Abstract Page Full-Text 10 - Modifications of Internal Molecular Structures of Asphalt Components Due to Physical Aging Iffat R. Arisa Open Access Article Abstract Page Full-Text 11 - QSAR studies, docking and molecular dynamics simulation of a number of heterocyclic compounds including nitrogen oxide as new anti-tuberculosis agents Ghasem Ghasemi Babak Motahary Robabe SayadikordAbadi Open Access Article Abstract Page Full-Text 12 - A DFT and Molecular Dynamics Study on Inhibitory Action of Three Amine Derivatives on Corrosion of Carbon Steel Mohammad Hossein Ghorbani Maryam Dehdab Open Access Article Abstract Page Full-Text 13 - Simulation of the interaction of the enzyme Fumarate reductase with Nizatidine and comparison with the inhibitory effect some Yarrow compounds of the plant to enhance the effects of Metronidazole on Helicobacter pylori in Insilico khadijeh tavakoli hafshejani ali kazemi babahydari afsaneh nikkhah Open Access Article Abstract Page Full-Text 14 - Thermomechanical Properties of the Polymeric Nanocomposite Predicted by Molecular Dynamics Majid Hadipeykani farshid Aghadavoudi Davood Toghraie Open Access Article Abstract Page Full-Text 15 - Free Vibration of Defective Nanographene using Molecular Dynamics Simulation and Differential Quadrature Method Hossein Golestanian ali khodadadi mahmoud haghighi 10.30495/admt.2021.1928536.1276 Open Access Article Abstract Page Full-Text 16 - Temperature Effect on Mechanical Properties of Top Neck Mollusk Shells Nano-Composite by Molecular Dynamics Simulations and Nano-Indentation Experiments A Nouroozi Masir A Darvizeh A Zajkani 10.22034/jsm.2019.668662 Open Access Article Abstract Page Full-Text 17 - A Study on Stiffness of a Defective Rippled Graphene Using Molecular Dynamics Simulation Amin Hamzei Emad Jomehzadeh M Rezaeizadeh M Mahmoodi https://doi.org/10.60664/jsm.2023.2031734 Open Access Article Abstract Page Full-Text 18 - Influences of Small-Scale Effect and Boundary Conditions on the Free Vibration of Nano-Plates: A Molecular Dynamics Simulation S.F Asbaghian Namin R Pilafkan Open Access Article Abstract Page Full-Text 19 - Mechanical Characteristics and Failure Mechanism of Nano-Single Crystal Aluminum Based on Molecular Dynamics Simulations: Strain Rate and Temperature Effects R Rezaei H Tavakoli-Anbaran M Shariati Open Access Article Abstract Page Full-Text 20 - Molecular dynamics simulation study on the drug discovery in covid-19 disease Pejman Shir Ali Poor Elham Tazikeh-Lemeski Open Access Article Abstract Page Full-Text 21 - Investigation the effect of diameter and temperature on mechanical properties of single-walled boron nitride nanotubes by molecular dynamics simulation Mohammad reza Mostafaei Abdolhosein Fereidoon Masoud Darvish ganji Open Access Article Abstract Page Full-Text 22 - Atomistic simulations on the influence of diameter, number of walls, interlayer distance and temperature on the mechanical properties of MWBNNTs mohammad reza mostafaei Abdolhosein Fereidoon Masoud Darvish ganji Open Access Article Abstract Page Full-Text 23 - Molecular dynamic simulation for investigation of temperature, neck length and sheet size influence on mechanical properties of graphene nanobud marjan khorasani Abdolhosein Fereidon Open Access Article Abstract Page Full-Text 24 - Identification of Lampyris turkestanicus luciferase Stabilizing Mutations Using Bioinformatics Software and Web Servers and Molecular Dynamics Simulation Alireza Khondabi hassan sahebjamee Fahimeh Baghbani-Arani Open Access Article Abstract Page Full-Text 25 - In silico study to Identify New Inhibitors of Staphylococcus aureus (S. aureus) Sortase A hassan sahebjamee Mehr Ali Mahmood Janlou Open Access Article Abstract Page Full-Text 26 - QSAR, Molecular docking and Molecular dynamics studies simulation of Epigenetic inhibitors ghasem ghasemi babak motahary Robabe SayadikordAbadi omid alizadeh Open Access Article Abstract Page Full-Text 27 - Simulation of Fabrication toward High Quality Thin Films for Robotic Applications by Ionized Cluster Beam Deposition Esmaeil Zaminpayma Open Access Article Abstract Page Full-Text 28 - Stress-strain behavior of two-layer graphene with different chirality Mohsen Motamedi Amirhossein Aghili 10.22034/jna.2020.1904370.1219 Open Access Article Abstract Page Full-Text 29 - Stress-strain behavior of two-layer graphene with different chirality Mohsen Motamedi A.H. Aghili 10.22034/jna.2021.681549 Open Access Article Abstract Page Full-Text 30 - Molecular Dynamics Investigation of The Elastic Constants and Moduli of Single Walled Carbon Nanotubes Mohammad Mahdi Zaeri Saeed Ziaei-Rad 10.22034/jna.2017.01.008 Open Access Article Abstract Page Full-Text 31 - Effects of Colliding Particle Size and Velocity on Mechanical Properties of AZ31 after Surface Mechanical Attrition Treatment: Molecular Dynamics Simulation Ali Kazemi Ali Heidari Kamran Amini Farshid Aghadavoudi Mohsen Loh-Mousavi Open Access Article Abstract Page Full-Text 32 - Analysis of Thermo-Mechanical Behavior of Gold Nanowire by Using Molecular Dynamics Method Mohammad Tahmasebipour Reihaneh Ahmadi Mehrzad Modarres Open Access Article Abstract Page Full-Text 33 - Investigation of the Effect of Atomic Structure Defects on the Thermal Expansion Coefficient of Zigzag and Armchair Carbon Nanotubes Using Molecular Dynamics Method Farshid Aghadavoudi Hossein Golestanian Open Access Article Abstract Page Full-Text 34 - Investigating the Effect of Poly (D L-Lactic Acid) Molecular Weight on the Shape Memory Parameters: A Molecular Dynamics Study Mohammad Amini Abbas Montazeri Open Access Article Abstract Page Full-Text 35 - تاثیر هندسه زبری دیواره نانوکانال در رفتار جریان پوازیه نانوسیال آب-مس محمد میثم امراللهی پورشیرازی داود طغرایی احمدرضا عظیمیان Open Access Article Abstract Page Full-Text 36 - Thermodynamic Analysis of Short Single-Stranded DNA (ssDNA) for Advancing DNA-Based Biosensor-biocatalyst Development Mohammad Reza Bozorgmehr Maryam Ghanbari-Ghanbarlo Ali Morsali Open Access Article Abstract Page Full-Text 37 - Numerical investigation of wettability of copper substrates with graphene-like nanolayers Aref Pishevar Open Access Article Abstract Page Full-Text 38 - Studying mechanical behavior of non-wrinkled phosphorene nanotubes under uniaxial loading هومن Esfandyar A.R Setoodeh Open Access Article Abstract Page Full-Text 39 - Investigating the effect of particle size on Volume-per-atom parameter of TiO2 nanoparticles علی Mashreghi Open Access Article Abstract Page Full-Text 40 - Simulation of RDX Decomposition Interacting with Shock Wave via Molecular Dynamics Abbas Latifi Seyyed Hamid Ahmadi Ali khanlarkhani Manoochehr Fathollahi
