Arghya Chakravorty
University of Michigan
H-index: 12
North America-United States
Top articles of Arghya Chakravorty
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
pyCHARMM: embedding CHARMM functionality in a python framework | Journal of Chemical Theory and Computation | Joshua Buckner Xiaorong Liu Arghya Chakravorty Yujin Wu Luis F Cervantes | 2023/6/2 |
Total free energy analysis of fully hydrated proteins | Proteins: Structure, Function, and Bioinformatics | Jas Kalayan Arghya Chakravorty Jim Warwicker Richard H Henchman | 2023/1 |
Free Gangliosides Can Alter Amyloid-β Aggregation | The Journal of Physical Chemistry Letters | Arghya Chakravorty Samuel D. McCalpin Bikash R. Sahoo Ayyalusamy Ramamoorthy Charles L. Brooks III | 2022 |
Energy–entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host–guest challenge | Journal of computer-aided molecular design | Hafiz Saqib Ali Arghya Chakravorty Jas Kalayan Samuel P de Visser Richard H Henchman | 2021/8 |
BION-2: predicting positions of non-specifically bound ions on protein surface by a Gaussian-based treatment of electrostatics | International Journal of Molecular Sciences | HB Mihiri Shashikala Arghya Chakravorty Shailesh Kumar Panday Emil Alexov | 2020/12/29 |
Entropy of proteins using multiscale cell correlation | Journal of Chemical Information and Modeling | Arghya Chakravorty Jonathan Higham Richard H Henchman | 2020/9/21 |
Capturing the effects of explicit waters in implicit electrostatics modeling: Qualitative justification of Gaussian-based dielectric models in DelPhi | Journal of chemical information and modeling | Arghya Chakravorty Shailesh Panday Swagata Pahari Shan Zhao Emil Alexov | 2020/3/10 |
Co-Authors
