Afshin Fassihi (PharmD, PhD) is a professor in medicinal chemistry at Isfahan University of Medical Sciences (IUMS) since 2015. He earned his PharmD degree in 1995 and subsequently pursued his Ph.D. in medicinal chemistry until 2003, both in IUMS. In the meantime, in order to develop his Ph.D. research, he joined a research group in Alberta University, Canada; Prof. Edward E Knaus research group, in which he worked as a post-doctoral fellow. Moreover, he expanded his research horizon by serving as a visiting scientist in Wilfrid Laurier University, Waterloo, Canada in 2012 and a member of the BIO-HPC, UCAM, Murica, Spain in 2014. His main focus has been on computational drug design, for HIV inhibitory effects in particular. He is now an active member of School of Pharmacy Research Centers in IUMS and the head of fixed-pdb project.

Mohammad Hasan Nazari (PharmD student) is currently a senior student in the PharmD program at Isfahan University of Medical Sciences. In addition to his comprehensive studies in molecular biology and bioinformatics, his passion lies in participating in chemoinformatic research projects. Last year, he had the privilege of working closely with Professor Fassihi's esteemed research group on a variety of projects. One of his major endeavors involved addressing defects in proteins' PDB files through the implementation of diverse approaches and tools. He dedicated a significant amount of his time and knowledge to devising innovative strategies for resolving various challenges associated with PDB files, all under the guidance and supervision of Professor Fassihi.

Mahsa Sheikholeslami (PharmD student) has been an active participant in PharmD program at Isfahan University of Medical Sciences since 2018, with expectations of completing her studies in the near future. Her academic focus has primarily revolved around the realm of drug discovery, and she has been engaged in research endeavors under the mentorship of Professor Fassihi. Alongside her pharmaceutical pursuits, Mahsa has exhibited a notable enthusiasm for data sciences, demonstrating a proactive approach in acquiring knowledge from diverse educational sources. Within the scope of her involvement in this project, she assumes the responsibilities of data collection, management and the curation of protein-related data.