Sukrit Singh, Ph.D.
Affiliations: | 2010-2020 | Washington University, Saint Louis, St. Louis, MO | |
| 2021- | Memorial Sloan Kettering Cancer Center, Rockville Centre, NY, United States |
Area:
Biochemistry, BiophysicsGoogle:
"Sukrit Singh"Mean distance: 11.54
Parents
Sign in to add mentor| Garland R. Marshall | research assistant | 2012-2014 | Washington University |
| Jay W. Ponder | research assistant | 2013-2014 | Washington University (Physics Tree) |
| Gregory R. Bowman | grad student | 2010- | Washington University |
| John D. Chodera | post-doc | Memorial Sloan Kettering Cancer Center | |
| Markus A. Seeliger | post-doc | Stony Brook University Medical Center (Cell Biology Tree) |
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Publications
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| Singh S, Gapsys V, Aldeghi M, et al. (2025) Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding. Biorxiv : the Preprint Server For Biology |
| Singh S, Gapsys V, Aldeghi M, et al. (2025) Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding. The Journal of Physical Chemistry. B |
| de Castro RL, Rodríguez-Guerra J, Schaller D, et al. (2024) Lessons learned during the journey of data: from experiment to model for predicting kinase affinity, selectivity, polypharmacology, and resistance. Biorxiv : the Preprint Server For Biology |
| Todd TD, Vithani N, Singh S, et al. (2024) Stabilization of interdomain closure by a G protein inhibitor. Proceedings of the National Academy of Sciences of the United States of America. 121: e2311711121 |
| Vithani N, Todd TD, Singh S, et al. (2024) G Protein Activation Occurs via a Largely Universal Mechanism. The Journal of Physical Chemistry. B |
| Zhang I, Rufa DA, Pulido I, et al. (2024) Correction to Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex. Journal of Chemical Theory and Computation |
| Eastman P, Galvelis R, Peláez RP, et al. (2023) OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. The Journal of Physical Chemistry. B |
| Outhwaite IR, Singh S, Berger BT, et al. (2023) Death by a thousand cuts through kinase inhibitor combinations that maximize selectivity and enable rational multitargeting. Elife. 12 |
| Boby ML, Fearon D, Ferla M, et al. (2023) Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science (New York, N.Y.). 382: eabo7201 |
| Nigam A, Hurley MFD, Li F, et al. (2023) Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors. Biorxiv : the Preprint Server For Biology |