Arup Mondal

Arup is interested in all aspects of molecular interactions in biomolecules: from how they are able to self-assemble into functional 3D structures to how different macromolecules interact with each other. His current focus is to predict protein structures and their complexes using co-evolutionary data and physics. 


Rangana earned his BSc in Computational Chemistry from University of Colombo, Sri Lanka. He is interested in applying computational techniques to investigate structure-function relationship of DNA. Rangana enjoys playing sports and working out in his spare time.

Liwei Chang

Liwei focuses on understanding biomolecular phenomena through statistical mechanics and physical chemistry. He is currently working on protein-DNA interactions. Beyond research, he likes watching “eating broadcast” and basketball.

Reza Esmaeli

Reza is a science enthusiast geek with backgrounds in biology and a passion to learn new things everyday. His focus is protein structure and DNA-protein interactions, using computational methods, including Molecular Dynamics. Reza is trying to predict DNA binding behaviors of various proteins on different DNA motifs.

Qianchen Liu

Qianchen received her B.S. from Shaanxi Normal University. Her research interest involves in the conformation transfer of two structures of DNA and DNA binding with Protein by means of umbrella sampling and Markov State Modeling. In her free time Qianchen enjoys playing the flute, photography and going skateboarding.

Stephen Jones

Stephen received his B.S. in Chemistry from The College of New Jersey. He is interested in using computer simulations to study protein interactions and various biological systems, such as extracellular matrices, at the atomic level. Outside of the lab, he enjoys hiking and playing video games.

Bhumika Singh

Bhumika is interested in understanding the cooperativity features embedded within protein sequences and primary structure to fold into native protein correctly. She intends on utilizing MELD and Molecular Dynamics to study biomolecular functions and dynamics in general and protein folding in specific.

Yisel Martinez Noa

Yisel is interested in elucidating the binding and dissociation pathways of flexible
peptides interacting with target proteins. She is currently working on determining
the peptide-binding kinetics of several systems. In her spare time, she likes playing
video/board games, bowling, and going swimming.

Undergraduate Researchers

Elizabeth Sebastian 

Elizabeth is an undergraduate student who studies the binding of the ET domain of BET protein family with host and viral peptides. She is interested in using Molecular Dynamics to study protein binding in order to better understand protein function and for future drug development. She has been recently accepted as a 2023-2024 CLAS Scholar.

Solaine Jaoui

Solaine is an REU exchange student from Sorbonne Université in Paris. She is interested in studying how theoretical and computational tools can be applied to research in biochemistry. In her spare time, Solaine enjoys travelling and reading.

Ben Andal

Ben is an undergraduate student interested in studying bio-catalysis, particularly in mixed solvent systems. He is interested in using computational methods, such as Molecular Dynamics, to study catalytic behavior and how solvent environments may affect such behavior.

Visiting Researchers

Professor Juan Jesus Perez from the Polytechnic University of Catalonia visited in 2022 bringing new directions in peptidomimetic design.

Former Lab Members

Dr. Antonio Bauzá  is now a Tenure track Lecturer at the University of the Balearic Islands, Spain. 

Lijun Lang graduated with a Master’s degree and is now a graduate student in the Computer Science and Engineering department at the Chinese University of Hong Kong.