Main Subjects = Simulation
Number of Articles: 7
1. Molecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF)

Volume 5, Issue 2, Spring 2017, Pages 221-237

Hossein Azizi Toupkanloo; Manoochehr Fathollahi

Molecular Dynamics Simulation of Al/NiO Thermite Reaction Using Reactive Force Field (ReaxFF)


2. Effect of Defects on Mechanical Properties of Graphene under Shear Loading Using Molecular Dynamic Simulation

Volume 3, Issue 4, Autumn 2015, Pages 299-304

Salimeh Kimiagar; Ali Rajabpour; Fatemeh Tavazoee

Effect of Defects on Mechanical Properties of Graphene under Shear Loading Using Molecular Dynamic Simulation


3. Dual-Target Anticancer Drug Candidates: Rational Design and Simulation Studies

Volume 3, Issue 2, Spring 2015, Pages 125-143

Fatemeh Keshavarz; Delara Mohammad-Aghaie

Dual-Target Anticancer Drug Candidates: Rational Design and Simulation Studies


5. First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress

Volume 1, Issue 2, Autumn 2013, Pages 99-103

Mahmood Moradi; Mohammad Rostami

First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress


6. Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin

Volume 1, Issue 2, Autumn 2013, Pages 111-116

Fatemeh Keshavarz; Mohammad Mehdi Alavianmehr; Reza Yousefi

Molecular Interaction of Benzalkonium Ibuprofenate and its Discrete Ingredients with Human Serum Albumin


7. Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration

Volume 1, Issue 2, Autumn 2013, Pages 152-165

Davood Ajloo; Sharbanoo Ghalehagababaie; Najmeh Mahmoodabadi

Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration