Sukrit Singh

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 13

Top Topics

Molecular Dynamics Simulations

Protein Protein

Top Venues

Proceedings of the National Academy of Sciences of the United States of America

Nature communications

bioRxiv : the preprint server for biology

This page only lists publications with an associated author ORCID identifier.

Publications

Tyson D Todd, Neha Vithani, Sukrit Singh, Gregory R Bowman, Kendall J Blumer, Andrea Soranno
Stabilization of interdomain closure by a G protein inhibitor. Proceedings of the National Academy of Sciences of the United States of America 121 (36) (2024)
Tyson D Todd, Neha Vithani, Sukrit Singh, Gregory R Bowman, Kendall J Blumer, Andrea Soranno
Stabilization of interdomain closure by a G protein inhibitor. Proceedings of the National Academy of Sciences of the United States of America 121 (36) (2024)
Ian R Outhwaite, Sukrit Singh, Benedict-Tilman Berger, Stefan Knapp, John D Chodera, Markus A Seeliger
Death by a thousand cuts through kinase inhibitor combinations that maximize selectivity and enable rational multitargeting. eLife 12 (2023)
Ivy Zhang, Dominic A Rufa, Iván Pulido, Michael M Henry, Laura E Rosen, Kevin Hauser, Sukrit Singh, John D Chodera
Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein:protein complex. bioRxiv : the preprint server for biology (2023)
Matthew A Cruz, Thomas E Frederick, Upasana L Mallimadugula, Sukrit Singh, Neha Vithani, Maxwell I Zimmerman, Justin R Porter, Katelyn E Moeder, Gaya K Amarasinghe, Gregory R Bowman
A cryptic pocket in Ebola VP35 allosterically controls RNA binding. Nature communications 13 (1) (2022)
Catherine R Knoverek, Upasana L Mallimadugula, Sukrit Singh, Enrico Rennella, Thomas E Frederick, Tairan Yuwen, Shreya Raavicharla, Lewis E Kay, Gregory R Bowman
Opening of a cryptic pocket in β-lactamase increases penicillinase activity. Proceedings of the National Academy of Sciences of the United States of America 118 (47) (2021)
Jasmine Cubuk, Jhullian J Alston, J Jeremías Incicco, Sukrit Singh, Melissa D Stuchell-Brereton, Michael D Ward, Maxwell I Zimmerman, Neha Vithani, Daniel Griffith, Jason A Wagoner, Gregory R Bowman, Kathleen B Hall, Andrea Soranno, Alex S Holehouse
The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA. Nature communications 12 (1) (2021)
Maxwell I Zimmerman, Justin R Porter, Michael D Ward, Sukrit Singh, Neha Vithani, Artur Meller, Upasana L Mallimadugula, Catherine E Kuhn, Jonathan H Borowsky, Rafal P Wiewiora, Matthew F D Hurley, Aoife M Harbison, Carl A Fogarty, Joseph E Coffland, Elisa Fadda, Vincent A Voelz, John D Chodera, Gregory R Bowman
SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome. Nature chemistry 13 (7) (2021)
Jasmine Cubuk, Jhullian J Alston, J Jeremías Incicco, Sukrit Singh, Melissa D Stuchell-Brereton, Michael D Ward, Maxwell I Zimmerman, Neha Vithani, Daniel Griffith, Jason A Wagoner, Gregory R Bowman, Kathleen B Hall, Andrea Soranno, Alex S Holehouse
The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA. bioRxiv : the preprint server for biology (2020)
Xianqiang Sun, Sukrit Singh, Kendall J Blumer, Gregory R Bowman
Simulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding. eLife 7 (2018)
Barbara Cascella, Soon Goo Lee, Sukrit Singh, Joseph M Jez, Liviu M Mirica
The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A. Chemical communications (Cambridge, England) 53 (13) (2018)
Garrett J Patrick, Luting Fang, Jacob Schaefer, Sukrit Singh, Gregory R Bowman, Timothy A Wencewicz
Mechanistic Basis for ATP-Dependent Inhibition of Glutamine Synthetase by Tabtoxinine-β-lactam. Biochemistry 57 (1) (2017)
Sukrit Singh, Gregory R Bowman
Quantifying Allosteric Communication via Both Concerted Structural Changes and Conformational Disorder with CARDS. Journal of chemical theory and computation 13 (4) (2017)