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Journal of Biomolecular Structure & Dynamics|June 12, 2023
On the interactions of peptides with gold nanoparticles: effects of sequence and sizeMohammad Khavani, Aliyeh Mehranfar, Mohammad R K MofradJournal of Chemical Information and Modeling|February 3, 2023
On the Sensitivity and Affinity of Gold, Silver, and Platinum Surfaces against the SARS-CoV-2 Virus: A Comparative Computational StudyMohammad Khavani, Aliyeh Mehranfar, Mohammad R K MofradACS Applied Bio Materials|March 20, 2023
Adsorption Process of Various Antimicrobial Peptides on Different Surfaces of CelluloseAliyeh Mehranfar, Mohammad Khavani, Mohammad R K MofradJournal of Biomolecular Structure & Dynamics|January 24, 2024
Antimicrobial peptide interactions with bacterial cell membranesMohammad Khavani, Aliyeh Mehranfar, Mohammad R K MofradJournal of Chemical Information and Modeling|November 20, 2025
A Multiscale Simulation Framework for Elucidating Photochemical Structure-Activity Relationships of Photoswitchable Ligands in Complex Biomolecular EnvironmentsAmirhossein Bakhtiiari, Mohammad Khavani, Gustavo J Costa, et al.The Journal of Physical Chemistry. A|February 27, 2013
Quantum chemistry aspects of the solvent effects on 3,4-dimethyl-2,5-dihydrothiophen-1,1-dioxide pyrolysis reactionMohammad Izadyar, Mostafa Gholizadeh, Mohammad Khavani, et al.Biorxiv : the Preprint Server for Biology|November 26, 2025
Mechanistic Understanding of Protein-MOF Integration through Surfactant-Driven Interfacial DesignEhsan Rashidniyaghi, Mohammad Khavani, Carlie Coerver, et al.Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|June 9, 2026
Mechanistic Understanding of Protein-MOF Integration Through Surfactant-Driven Interfacial DesignEhsan Rashidniyaghi, Mohammad Khavani, Carlie Coerver, et al.Journal of Medicinal Chemistry|April 14, 2026
A Systematic Benchmark Study of Free Energy Methods for Quantifying Light-Responsive Binding Affinities of Photoswitchable Antagonists of Beta-Adrenergic ReceptorsMohammad Khavani, Amirhossein Bakhtiiari, Laleh Khalvati, et al.Biorxiv : the Preprint Server for Biology|June 4, 2026
Multiscale Free-Energy Methods for Protonation-Coupled Light-Responsive Binding of Ionizable Photoswitchable eDHFR InhibitorsMohammad Khavani, Kambham Devendra Reddy, Pauf Neupane, et al.Pageof 3