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Scientific Reports|November 3, 2022
Design of amino acid- and carbohydrate-based anticancer drugs to inhibit polymerase ηSepideh Kalhor, Alireza FattahiScientific Reports|November 3, 2025
In silico design of natural-based structures as drug candidates to inhibit ROS1 proteinMohammadjavad Maleki, Alireza FattahiScientific Reports|November 23, 2024
Combinatorial MD/QM studies to develop novel ionic liquid-based anticancer drug delivery systems with aminium derived from carbohydrates as cationic componentsSepideh Kalhor, Alireza FattahiAmino Acids|November 20, 2025
Aromatic amino acid-metal ion interactions: comparative effects of alkali and Zn2+ on acidity and coordination behavior via QM studiesSepideh Kalhor, Alireza FattahiCurrent Research in Structural Biology|July 1, 2026
Nucleo-amino acid derived AMO as a potential JAK inhibitor: machine learning screening, docking, molecular dynamics, ADMET/toxicity, and MM-PBSA analysisMorteza Hosseini, Alireza FattahiScientific Reports|December 19, 2022
Design of ionic liquids containing glucose and choline as drug carriers, finding the link between QM and MD studiesSepideh Kalhor, Alireza FattahiScientific Reports|December 23, 2022
Inducing high exo selectivity in Diels-Alder reaction by dimethylborane substituent: a DFT studyDavood Taherinia, Alireza FattahiCarbohydrate Research|November 11, 2008
Comparison of thermochemistry of aspartame (artificial sweetener) and glucoseMohammad Rashidian, Alireza FattahiJournal of Molecular Modeling|February 15, 2012
Mechanisms and kinetics of thiotepa and tepa hydrolysis: DFT studyHedieh Torabifard, Alireza FattahiJournal of Molecular Graphics & Modelling|April 18, 2020
Comparison of acidity and metal ion affinity of D-Glucosamine and N-acetyl-D-glucosamine, a DFT studyZahrabatoul Mosapour Kotena, Alireza FattahiPageof 4