Suchergebnisse - "Chipot, Chris"

PubPharm (22)

1

Biophysics at the dawn of exascale computers

enthalten in: Biophysical journal | 2023

von Singharoy, A. | Pérez, A. | Chipot, C.

2

Critical interactions for SARS-CoV-2 spike protein binding to ACE2 identified by machine learning

enthalten in: bioRxiv.org | 2021

von Pavlova, A. | Zhang, Z. | Acharya, A. | +6

3

Tuning Proton Transfer Thermodynamics in SARS-Cov-2 Main Protease: Implications for Catalysis and Inhibitor Design

enthalten in: chemRxiv.org | 2021

von Zanetti-Polzi, L. | Smith, M. | Chipot, C. | +5

4

Machine Learning Reveals the Critical Interactions for SARS-CoV-2 Spike Protein Binding to ACE2

enthalten in: The journal of physical chemistry letters | 2021

von Pavlova, A. | Zhang, Z. | Acharya, A. | +6

5

Tuning Proton Transfer Thermodynamics in SARS-CoV-2 Main Protease : Implications for Catalysis and Inhibitor Design

enthalten in: The journal of physical chemistry letters | 2021

von Zanetti-Polzi, L. | Smith, M. | Chipot, C. | +5

UpdateOf: ChemRxiv. 2020 Nov 06;:. - PMID 33200115

6

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

enthalten in: Chemical science | 2021

von Pavlova, A. | Lynch, D. | Daidone, I. | +16

UpdateOf: bioRxiv. 2020 Sep 10;:. - PMID 32935106

7

Tuning Proton Transfer Thermodynamics in SARS-Cov-2 Main Protease : Implications for Catalysis and Inhibitor Design

enthalten in: ChemRxiv : the preprint server for chemistry | 2020

von Zanetti-Polzi, L. | Smith, M. | Chipot, C. | +5

UpdateIn: J Phys Chem Lett. 2021 Apr 26;:4195-4202. - PMID 33900080

8

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

enthalten in: bioRxiv.org | 2020

von Pavlova, A. | Lynch, D. | Daidone, I. | +16

9

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

enthalten in: bioRxiv : the preprint server for biology | 2020

von Pavlova, A. | Lynch, D. | Daidone, I. | +16

UpdateIn: Chem Sci. 2020 Nov 26;12(4):1513-1527. - PMID 35356437

10

Mechanism of action of HBV capsid assembly modulators predicted from binding to early assembly intermediates

enthalten in: bioRxiv.org | 2020

von Pavlova, A. | Bassit, L. | Cox, B. | +6