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Sukrit Singh

Showing results (31-40 of 40) with videos related to

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Biorxiv : the Preprint Server for Biology|March 10, 2025
Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor bindingSukrit Singh, Vytautas Gapsys, Matteo Aldeghi, et al.
Biorxiv : the Preprint Server for Biology|September 24, 2024
Lessons learned during the journey of data: from experiment to model for predicting kinase affinity, selectivity, polypharmacology, and resistanceRaquel López-Ríos de Castro, Jaime Rodríguez-Guerra, David Schaller, et al.
The Journal of Physical Chemistry. B|March 7, 2025
Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor BindingSukrit Singh, Vytautas Gapsys, Matteo Aldeghi, et al.
Nature Chemistry|May 25, 2021
SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteomeMaxwell I Zimmerman, Justin R Porter, Michael D Ward, et al.
Biorxiv : the Preprint Server for Biology|July 9, 2020
SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the ProteomeMaxwell I Zimmerman, Justin R Porter, Michael D Ward, et al.
The Journal of Physical Chemistry. B|December 28, 2023
OpenMM 8: Molecular Dynamics Simulation with Machine Learning PotentialsPeter Eastman, Raimondas Galvelis, Raúl P Peláez, et al.
Arxiv|November 21, 2023
OpenMM 8: Molecular Dynamics Simulation with Machine Learning PotentialsPeter Eastman, Raimondas Galvelis, Raúl P Peláez, et al.
Biorxiv : the Preprint Server for Biology|October 24, 2023
Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase InhibitorsAkshatKumar Nigam, Matthew F D Hurley, Fengling Li, et al.
Nature|March 16, 2023
MEN1 mutations mediate clinical resistance to menin inhibitionFlorian Perner, Eytan M Stein, Daniela V Wenge, et al.
Science (New York, N.Y.)|November 9, 2023
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitorsMelissa L Boby, Daren Fearon, Matteo Ferla, et al.
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Showing results (31-40 of 40) with videos related to

Sort By:
Pageof 4
You have reached the last page of results.This site can display upto 40 results.
Biorxiv : the Preprint Server for Biology|March 10, 2025
Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor bindingSukrit Singh, Vytautas Gapsys, Matteo Aldeghi, et al.
Biorxiv : the Preprint Server for Biology|September 24, 2024
Lessons learned during the journey of data: from experiment to model for predicting kinase affinity, selectivity, polypharmacology, and resistanceRaquel López-Ríos de Castro, Jaime Rodríguez-Guerra, David Schaller, et al.
The Journal of Physical Chemistry. B|March 7, 2025
Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor BindingSukrit Singh, Vytautas Gapsys, Matteo Aldeghi, et al.
Nature Chemistry|May 25, 2021
SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteomeMaxwell I Zimmerman, Justin R Porter, Michael D Ward, et al.
Biorxiv : the Preprint Server for Biology|July 9, 2020
SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the ProteomeMaxwell I Zimmerman, Justin R Porter, Michael D Ward, et al.
The Journal of Physical Chemistry. B|December 28, 2023
OpenMM 8: Molecular Dynamics Simulation with Machine Learning PotentialsPeter Eastman, Raimondas Galvelis, Raúl P Peláez, et al.
Arxiv|November 21, 2023
OpenMM 8: Molecular Dynamics Simulation with Machine Learning PotentialsPeter Eastman, Raimondas Galvelis, Raúl P Peláez, et al.
Biorxiv : the Preprint Server for Biology|October 24, 2023
Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase InhibitorsAkshatKumar Nigam, Matthew F D Hurley, Fengling Li, et al.
Nature|March 16, 2023
MEN1 mutations mediate clinical resistance to menin inhibitionFlorian Perner, Eytan M Stein, Daniela V Wenge, et al.
Science (New York, N.Y.)|November 9, 2023
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitorsMelissa L Boby, Daren Fearon, Matteo Ferla, et al.
Pageof 4