Suchergebnisse - "Smith, Micholas"

PubPharm (51)

11

Modeling the partitioning of amphiphilic molecules and co‐solvents in biomembranes

enthalten in: Journal of Applied Crystallography | 2022

von Tan, L. | Smith, M. | Scott, H. | +8

12

Repurposing Therapeutics for COVID-19: Supercomputer-Based Docking to the SARS-CoV-2 Viral Spike Protein and Viral Spike Protein-Human ACE2 Interface

enthalten in: chemRxiv.org | 2021

von Smith, M. | Smith, J.

13

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

enthalten in: chemRxiv.org | 2021

von Acharya, A. | Agarwal, R. | Baker, M. | +46

14

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

15

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

16

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

17

Supercomputing Pipelines Search for Therapeutics Against COVID-19

enthalten in: Computing in science & engineering | 2021

von Vermaas, J. | Sedova, A. | Baker, M. | +7

18

Effects of sodium and calcium chloride ionic stresses on model yeast membranes revealed by molecular dynamics simulation

enthalten in: Chemistry and physics of lipids | 2020

von Smith, M. | Smith, J.

19

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

20

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