I am interested in using molecular dynamics simulations to accurately simulate protein conformational dynamics and protein-ligand interactions. My current goal is to test multiple MD based techniques to refine ligand conformations that are initially generated via a faster (though less accurate) virtual screening process. My hope is that my work will aid in future drug discovery and optimization for relevant protein targets. (Simmerling lab)

Program: PhD, Chemistry at Stony Brook University

My research focuses on using molecular dynamics simulations to investigate bacterial pili synthesised through the chaperone-usher pathway. (Simmerling lab)

Program: PhD, Chemistry at Stony Brook University

My research interest lies in the application of molecular-scaled simulations to the real-world issues that biology can solve. (Kozakov lab)

Program: PhD, Applied Mathematics and Statistics at Stony Brook University

I completed my bachelor’s degree at the University of Tehran and my Master of Biochemistry at Tarbiat Modares University. Currently, I am working on developing high-throughput methods for display-free selection of linear and circular peptides. My favorite scientist is Rick Sanchez from dimension C-137. (Serebryany lab)

Program: PhD, Biochemistry and Structural Biology at Stony Brook University

My work is focused on quantitative and computational approaches to neuroimaging, as well as multi-scale modeling of neurobiological processes. I am particularly interested in modeling cerebral metabolic dysfunction and applications to diagnostic biomarkers that appear in early states of pathology. (Mujica-Parodi lab)

Programs: PhD, Biomedical Engineering & MSTP at Renaissance School of Medicine, Stony Brook University

I develop algorithms for modeling molecular interactions and liquid phase separation. My broader interest lies in mathematical modeling. (Kozakov lab)

Program: PhD, Applied Mathematics and Statistics at Stony Brook University

I am interested in how cellular interactions can lead to and modulate cellular phenotypes, such as proliferation and motility. By combining synthetic biology approaches with computational modeling, I aim to develop a more predictive and quantitative understanding of these phenomena. (Balázsi lab)

Program: PhD, Biomedical Engineering at Stony Brook University

I develop efficient methods for modeling protein-protein, protein-small molecule interactions, and PROTAC ternary complexes. I also combine these methods with statistical physics tools to simulate the phase behavior of protein solutions. (Kozakov lab) | Citations

Program: PhD, Applied Mathematics and Statistics at Stony Brook University

To enhance precision and equity in medicine, my current study focuses on allosteric regulation of protein function. I aim to accelerate drug discovery by taking advantage of computationally derived structural and dynamic information and translate experimental data into personalized medicine. (Bahar lab)

Program: MSTP at Renaissance School of Medicine, Stony Brook University

I am currently working on PROTAC modeling and design, structural biology and biochemistry. More specifically, I am trying to answer questions about mechanistics of PROTACs, find ways to increase their specificity, and find new systems PROTACs can be applied for. At the same time, I am developing a method for discovering molecular glue degraders. (Kozakov lab)

Program: PhD, Applied Mathematics and Statistics, Computational Biology Track at Stony Brook University

My research interests involve using the structure and dynamics of proteins to understand their functions. It also includes bioinformatic and machine learning techniques to gain insight into biological systems and find potential drug targets. (Bahar lab)

Program: PhD, Molecular and Cellular Pharmacology at Stony Brook University

I am interested in studying protein structure and protein dynamics. Specifically, I employ ProDy tools to examine protein movement, protein conformation, and protein orthosteric/allosteric binding site. (Bahar lab)

Program: PhD, Biochemistry and Structural Biology at Stony Brook University

My research interest is building deep-learning models to improve predicting protein structures and protein interactions with other molecules. (Kozakov lab)

Program: PhD, Computer Science at Stony Brook University

My research interests broadly include structure-based drug design and molecular modeling. With enhanced biophysics understanding of the mechanisms underlying biomedically relevant processes, I am interested in expediting the development of novel therapeutics. (Bahar lab)

Program: PhD, Biochemistry and Structural Biology and Stony Brook University

My research focuses on cataracts and gamma crystallins, which, due to high cysteine content, form non-native disulfide bonds, misfolding, and light-scattering aggregates that contribute to cataract development. I conduct biophysical experiments on gamma-D crystallin variants to assess their stability and response to environmental stress, aiming to better understand cataract formation and develop preventive strategies. (Serebryany lab)

Program: PhD, Chemistry at Stony Brook University

I am developing force field parameters for use with Amber, in order to improve the accuracy of biomolecular simulations. (Simmerling lab)

Program: PhD, Chemistry at Stony Brook University

My research delves into unraveling the molecular intricacies of protein-protein and -drug interactions, utilizing advanced computational techniques such as coevolution analysis, docking and MD simulations, ENMs, and drug discovery methods. I am passionate about predicting complex structures, gaining insights into dynamics and stability, and exploring novel avenues for therapeutic interventions. (Bahar lab)

Program: PhD, Biochemistry and Structural Biology at Stony Brook U

I study protein dynamics through structural analysis and physics-based molecular dynamics simulations. Most of my PhD research has been focused on the SARS-CoV-2 viral entry protein called Spike protein, its structural diversity and dependence on environmental conditions such as pH. (Simmerling lab)

Program: PhD, Applied Mathematics and Statistics at Stony Brook University

Carlos Ventura is a second-year Ph.D. student in the Chemistry Ph.D. program, as well as an IMSD Merge scholar and Turner fellow. His research interest lies in the use of computational chemistry to help aid in the drug discovery process of developing new drugs for diseases as well as unraveling the intricate dynamics of proteins in understanding their evolutionary mechanisms of action. (Bahar lab)

Program: PhD, Chemistry at Stony Brook University

My work is on developing deep learning AlphaFold2-based models for binding and structure prediction of MHC complexes. (Kozakov lab)

Program: PhD, Computer Science at Stony Brook University