Author

D. B. Kokh

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 2

Signature Assays, Organisms & Methods

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Approach:deep learning· 2 Research Focus:drug response / drug discovery· 2 Approach:statistical model· 2 Research Focus:protein folding & dynamics· 1 Assay:protein structure· 1 Assay:structural biology· 1 Organism:virus· 1

Frequent Co-Authors

R. C. Wade· 2 shared A. Hanke· 1 shared A. R. Beccari· 1 shared A. Zaliani· 1 shared B. P. Joseph· 1 shared C. Bergh· 1 shared C. Manelfi· 1 shared C. Talarico· 1 shared

Activity by Year

2020-2021 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 45 mutual co-author links

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2 shared papersBiophysics

R. C. Wade

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2 papers

Recent·Most cited

BiophysicsbioRxivJun 20, 2021

G Protein-Coupled Receptor-Ligand Dissociation Rates and Mechanisms from {tau}RAMD Simulations

D. B. Kokh, R. C. Wade

This paper uses {tau}RAMD simulations to study GPCR ligand dissociation rates and mechanisms, showing agreement with conventional MD simulations and revealing effects of allosteric modulation.

DOI 10.1021/acs.jctc.1c00641

protein structuredeep learning

𝕏 PostBluesky

BiophysicsbioRxivDec 14, 2020

A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics

J. Gossen, S. Albani, A. Hanke…·G. Rossetti

The paper identifies a blueprint for high affinity SARS-CoV-2 Mpro inhibitors by analyzing protein dynamics and redefining druggability through virtual screening and pharmacophore modeling.

DOI 10.1021/acsptsci.0c00215

virusstructural biology

𝕏 PostBluesky