Onufriev, Alexey

The Amber biomolecular simulation programs

Case, D. A., Cheatham, T. E., Darden, T., Gohlke, H., Luo, R., Merz, K. M., Onufriev, A., Simmerling, C., Wang, B., & Woods, R. J. (2005) · Journal of Computational Chemistry

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 9,535

Exploring protein native states and large‐scale conformational changes with a modified generalized born model

Onufriev, A., Bashford, D., & Case, D. A. (2004) · Proteins: Structure, Function, and Bioinformatics

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 2,507

Using Deep Graph Neural Networks Improves Physics-Based Hydration Free Energy Predictions Even for Molecules Outside of the Training Set Distribution

Elder, L. H., & Onufriev, A. V. (2025) · The Journal of Physical Chemistry B

Advanced Chemical Physics StudiesComputational Drug Discovery Methods

Cited by 2