Group Members

We are looking for new PhD students, Postdocs, and Master students to join the team (see openings) !

Jump to PI, postdocs, graduate students, undergraduate students, coordinator or former members.

Principal Investigator

Mahmoud Moradi

moradi@uark.edu
Professor
Dept. of Chemistry and Biochemistry
Cell and Molecular Biology Program
Materials Science and Engineering Program

Postdoctoral Associate, 2011-2015, University of Illinois at Urbana-Champaign
Ph.D., Physics, 2011, North Carolina State University
M.Sc., Physics, 2005, Sharif University of Technology
B.Sc., Physics, 2002, Sharif University of Technology

Postdoctoral Researchers

Hope Woods Shaw

hmwoods@uark.edu
Postdoc, started Jan 2024

Hope received her Ph.D. in chemical and physical biology from Vanderbilt University. She earned her bachelor’s degree from Lyon College in Batesville, AR in mathematics and biology. She worked in the lab of Jens Meiler during her Ph.D. on computational methods to predict the effects of mutations on protein folding and stability. She also implemented implicit membrane models in Rosetta to model membrane proteins in different membrane geometries. Some of Hope’s favorite hobbies include biking, beekeeping, and chasing around her two children.

Research Interests:

RSV fusion protein conformational transition pathway

Parth Chaturvedi

parthc@uark.edu
Postdoc, started Oct 2024

Parth received his Master's in Physics from Indian Institute of Science Education and Research, Bhopal and a Ph.D. in Chemistry from the University of Texas at El Paso under Lela Vukovic working on modelling of nucleic acids and viral proteins using MD. He did a postdoctoral fellowship at UIUC under Aleksei Aksimentiev working on modelling whole virions at atomic resolution

Research Interests:

Computational Virology

Graduate Students

Ehsaneh Khodadadi

ekhodada@uark.edu
Ph.D Student, Materials Science & Engineering

Ehsaneh received a B.Sc. and M.Sc. degree in Plant Breeding from the University of Tabriz, Iran, as well as a Ph.D. degree in Biotechnology. Also, she conducted a research period in the Field Omics Research Unit at the National Institute of Crop Science, NARO, in Japan, to work on proteomic analysis of abiotic sensitive and tolerant plants. Prior to joining Prof. Moradi's group, she gained three years of experience in proteome changes in the bacterial response to antibiotics at the Drug Applied Research Center in Tabriz, Iran. Ehsaneh enjoys reading, jogging, and spending time with her friends/family.

Research Interests:

Develop robust simulation protocols to elucidate the atomic-level mechanisms of drug release in lipid-nanoparticle/liposomal drug delivery systems, aiming to accurately capture the molecular basis of release kinetics.
Employ advanced computational techniques to achieve a comprehensive microscopic understanding of biological function by characterizing membranes and membrane proteins in detail, with a focus on unraveling their structural and dynamic $

Matthew Brownd

mgbrownd@uark.edu
Ph.D student, Chemistry and Biochemistry

Matthew Brownd is currently a Fourth-year graduate student. He recieved his Bachelor of Science in Chemistry from John Brown University in 2019, and has an interest in studying drug binding activities, specifically as it relates to anxiolytics or antidepressants. Outside of work, he is fascinated by the realms of science fiction and technology, which he enjoys exploring through games, movies, books, or tinkering with the latest gadgets.

Research Interests:

Stephanie Sauve

ssauve@uark.edu
Ph.D Student, Cell and Molecular Biology

Steph is a Ph.D. student in Cell and Molecular Biology at the University of Arkansas. She received her B.S. in biochemistry from St. Lawrence University (Class of 2022). Steph enjoys working out, cooking, and spending time outdoors.

Research Interests:

Atomic-Level Characterization of the Human Immunodeficiency Virus Type 1 Envelope Glycoproteins Using Molecular Dynamic Simulations
The effect of lipid composition on ACE2 dynamics
Conformational transition pathways of MFS transporters

Nicholas Hernderson

nh040@uark.edu
Ph.D student,Chemistry and Biochemistry

Nick is a first-year PhD student in Chemistry and Biochemistry at the University of Arkansas. Nick received his B.S. in chemistry from Texas Christian University in May of 2019 and his M.S. in chemistry from Texas Christian University in May of 2022. Nick is an avid outdoorsman and enjoys hunting, fishing, and camping in his free time.

Research Interests:

Saeid Ghomi

sghomi@uark.edu
Ph.D student,Computer Engineering

Saeid earned his Master of Science degree from Ferdowsi University of Mashhad, Iran, with a focus on optimization. He joined the Computer Science and Computer Engineering (CSCE) department at the University of Arkansas in Fall 2023. In Fall 2024, he became a member of the BioSimLab team, where he collaborates on research integrating computational methods and data analysis. He is particularly passionate about developing novel algorithms that enhance predictive modeling, data-driven decision-making, and real-time optimization.

Research Interests:

Soheil Jamali

sjamali@uark.edu
Ph.D student, Materials Science & Engineering

Soheil is a first-year PhD student in Material Science and Engineering. He received his master's and bachelor's degrees from Ferdowsi university of Mashhad, Iran. He enjoys reading books and watching movies. Also, he likes programming and simulation (especially bimolecular simulation). He believes that with simulation, we will be able to eradicate diseases very soon.

Research Interests:

Samuel Mwatha

swmwatha@uark.edu
Masters student: Science in Chemistry

Sam earned his B.Sc. in Analytical Chemistry with computing from University of Eldoret, Kenya in 2015. Before coming to Arkansas, Sam resided in both Nairobi, Kenya and Muscat, Oman, teaching Chemistry. He has a deep appreciation for cultural diversity He loves skateboarding and swimming, and currently gathered deep interest on tennis.

Research Interests:

Atomic Level Characterization for the Transport Cycle Pathways of Multidrug Resistance Associated Protein 1 (MRP1)

Ehsan Khodadadi

ehsank@uark.edu
Ph.D student, Materials Science & Engineering

Ehsan obtained a. B.Sc. and M.Sc.degree in Plant Breeding with a specialization in Molecular Genetic and Genetic Engineering. Furthermore, he achieved a Ph.D. degree in Molecular Genetic and Genetic Engineering from the University of Ilam.

In addition to his research accomplishments, he served as an Assistant Professor at the Azad University of Tabriz since 2017. In pursuit of expanding his knowledge and expertise, he recently joined Prof.Moradi's lab. Here, he is committed to completing his academic journey this time in Biomolecular Simulations. This endeavor reflects his dedication to continuous learning and his desire to explore interdisciplinary fields.

Research Interests:

Fauzia Haque

fhaque@uark.edu
Ph.D Student, Materials Science & Engineering

Fauzia Haque finished her undergraduate studies at the University of Dhaka, Bangladesh, and is now focused in computational chemistry at Dr. Moradi's Lab, where she explores molecular structures particularly on nanoparticle carriers. Beyond her studies, Fauzia enjoys reading. She's also a curious traveler who loves exploring different cultures, foods, and places.

Research Interests:

Ahmed Shubbar

ashubbar@uark.edu
Ph.D student, Cell and Molecular Biology

Bachelor of Science in Pharmacy (University of Kufa, Iraq) 2009.

Master of Science in Pharmacology (Kent State University, Ohio) 2013.

University Lecturer and Registered Pharmacist (2014-2022)

Research Interests:

Computational Chemistry
SAR and drug design

Asal Bahzadnezhad

asalb@uark.edu
Ph.D student,Cell and Molecular Biology

Asal completed her master's degree in civil engineering from Amirkabir University, 2017. She enjoys traveling, reading books, and spending time with her family.

Research Interests:

Milad Sangsefidi

Milads@uark.edu
Ph.D Student, Mechanical Engineering

Milad earned his Master of Science degree at Kharazmi University in Tehran, Iran.

He joined the Mechanical Engineering department in Spring 2023 and subsequently became a member of the BioSimLab team in the following Summer of 2024.

Research Interests:

Composite and nano composite materials, Molecular dynamic investigation of bio and nano materials.

Joseph Williamson

jgw004@uark.edu
Ph.D Student, Cell and Molecular Biology

Joseph Williamson is a second-year graduate student pursuing a PhD in cell and molecular biology at the University of Arkansas where he previously received his BS degree in chemistry. He is ambitious and always open to learning new skills for enhancing his abilities as a computational scientist. His current focus is in improving the understanding of the structure and function of the SARS-CoV-2 spike protein using molecular dynamics (MD) based sampling techniques with comparative single molecule fluorescence resonance energy transfer (smFRET) data.

Research Interests:

Curtis Goolsby

cgoolsby@uark.edu
Ph.D student, Chemistry and Biochemstry

Curtis is an avid reader and explorer. His interests are wide and varied but his work in computational chemistry has ranged from developing new force fields for water to simulating large protein systems. Currently he is finishing a PhD focusing on theoretical utilization of Markov Models while working as a DevOps engineer at a major tech company.

Research Interests:

Protein Conformational Landscapes
Deep Learning

Undergraduate Students

Abigail Bridges

asb018@uark.edu
B.Sc. student

Abigail is majoring in Biochemistry with a minor in Biology. She is planning to attend medical school once she completes her undergraduate degree. Abigail currently works at UAMS in Northwest Arkansas as a Patient Care Technician. In her free time, she loves reading, watching Razorback sports, and cooking.

Research Interests: Atomic-Level Characterization of the Human Immunodeficiency Virus Type 1 Envelope Glycoproteins Using Molecular Dynamic Simulations