Keywords = Molecular dynamics simulation
Adsorption of an Azo Dye on Graphene Nanosheet: A Molecular Dynamics Simulation Study

Volume 11, Issue 1, March 2023, Pages 117-127

Sara Samiee; Fatemeh Moosavi; Elaheh K. Goharshadi

Adsorption of an Azo Dye on Graphene Nanosheet: A Molecular Dynamics Simulation Study


Insights into Platinum Complex-HSA Bindings: Spectral and Molecular Dynamics Simulation Studies

Volume 9, Issue 3, September 2021, Pages 427-446

Abolfazl Ashrafi; Mohamad Mehdi Alavianmehr; Delara Mohammad-Aghaie; Reza Yousefi; Mohsen Golbon Haghighi; Ali Akbar Moosavi-Movahedi; Navid Soltani Rad

Insights into Platinum Complex-HSA Bindings: Spectral and Molecular Dynamics Simulation Studies


Probing the Binding of Valacyclovir Hydrochloride to the Human Serum Albumin

Volume 7, Issue 4, December 2019, Pages 751-764

Delara Mohammad-Aghaie; Navid Soltani Rad; Reza Yousefi; Negar Parvizi; Somayeh Behrouz; Mohamad Mehdi Alavianmehr

Probing the Binding of Valacyclovir Hydrochloride to the Human Serum Albumin


Exploring the Interaction Mechanism of Coumarin with Bovine β-Casein: Spectrofluorometric and Molecular Modeling Studies

Volume 6, Issue 3, September 2018, Pages 627-638

Zahra Adibipour; Najme Fani; Abdol-Khalegh Bordbar; Mehdi Sahihi

Exploring the Interaction Mechanism of Coumarin with Bovine β-Casein: Spectrofluorometric and Molecular Modeling Studies


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

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

Hossein Azizi Toupkanloo; Manoochehr Fathollahi

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


Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys

Volume 5, Issue 2, June 2017, Pages 359-366

Fatemeh Arianfar; Raheleh Rostamian; Hassan Behnejad

Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys


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

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

Fatemeh Keshavarz; Mohammad Mehdi Alavianmehr; Reza Yousefi

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