Sayan Mondal

Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series

Alessandra Mattei, Lingle Wang, Rajni Miglani Bhardwaj, 2021, J. Chem. Inf. Model..

The cost of living in the membrane: a case study of hydrophobic mismatch for the multi-segment protein LeuT.

George Khelashvili, Harel Weinstein, Lei Shi, 2013, Chemistry and physics of lipids.

Membrane Driven Spatial Organization of GPCRs

George Khelashvili, Marta Filizola, Jennifer M. Johnston, 2013, Scientific Reports.

Not Just an Oil Slick: How the Energetics of Protein-Membrane Interactions Impacts the Function and Organization of Transmembrane Proteins

George Khelashvili, Harel Weinstein, Sayan Mondal, 2014, Biophysical journal.

Accelerating drug discovery through tight integration of expert molecular design and predictive scoring.

Robert Abel, Richard A Friesner, Sathesh Bhat, 2017, Current opinion in structural biology.

Quantitative modeling of membrane deformations by multihelical membrane proteins: application to G-protein coupled receptors.

George Khelashvili, Jufang Shan, Harel Weinstein, 2011, Biophysical journal.