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The Journal of Physical Chemistry. B|March 17, 2022
Effects of Enzyme-Ligand Interactions on the Photoisomerization of a Light-Regulated Chemotherapeutic DrugRuibin Liang, Amirhossein BakhtiiariThe Journal of Chemical Physics|July 1, 2022
Multiscale simulation unravels the light-regulated reversible inhibition of dihydrofolate reductase by phototrexateRuibin Liang, Amirhossein BakhtiiariJournal of Computational Chemistry|March 11, 2025
Unraveling Solvent and Substituent Effects in the Photodynamics of Light-Dependent Microtubule Inhibitors for Cancer PhototherapyAmirhossein Bakhtiiari, Ruibin LiangPhysical Chemistry Chemical Physics : PCCP|November 17, 2021
Protein confinement fine-tunes aggregation-induced emission in human serum albuminRuibin Liang, Debojyoti Das, Amirhossein BakhtiiariThe Journal of Biological Chemistry|June 1, 2024
Distinct roles of the major binding residues in the cation-binding pocket of the melibiose transporter MelBParameswaran Hariharan, Amirhossein Bakhtiiari, Ruibin Liang, et al.Journal of Chemical Theory and Computation|August 22, 2023
On the Simulation of Thermal Isomerization of Molecular Photoswitches in Biological SystemsAmirhossein Bakhtiiari, Gustavo J Costa, Ruibin LiangJournal 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|March 11, 2024
Distinct roles of the major binding residues in the cation-binding pocket of MelBParameswaran Hariharan, Amirhossein Bakhtiiari, Ruibin Liang, et al.Journal 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.Proceedings of the Institution of Mechanical Engineers. Part H, Journal of Engineering in Medicine|December 18, 2020
A bioprinted composite hydrogel with controlled shear stress on cellsAmirhossein Bakhtiiari, Rezvan Khorshidi, Fatemeh Yazdian, et al.Pageof 2