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Michael R Shirts

43PUBLICATIONS
88CO-AUTHORS
Clinical pharmacology and therapeuticsMedical biochemistry - amino acids and metabolitesComputational chemistryCheminformatics and quantitative structure-activity relationshipsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Journal

Publications (43)

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|May 25, 2026
Context-dependent peptide recognition shapes tyrosine kinase substrate specificity beyond consensus motifs.

|May 13, 2026
A Hidden Binding Pocket in the β- ketoacyl-ACP Synthase FabB.

|Apr 21, 2026
Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge Model.

|Jan 07, 2026
Computational design of dynamic biosensors for emerging synthetic opioids.

Alison C Leonard, Chase Lenert-Mondou, Rachel Chayer

|Sep 16, 2025
GOPAL: A Water Model with Improved Thermodynamic Properties over a Large Pressure and Temperature Range Optimized Using Multistate Reweighting and Configuration Space Mapping.

Himanshu Paliwal, Michael R Shirts

|Aug 18, 2025
alchemlyb: the simple alchemistry library.

Zhiyi Wu, David L Dotson, Irfan Alibay

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Frequent Collaborators

11 joint publications

John D Chodera

10 joint publications

David Mobley

6 joint publications

Anika J Friedman

5 joint publications

Michael K Gilson

5 joint publications

Benjamin J Coscia

4 joint publications

David F Hahn

4 joint publications

Lee-Ping Wang

4 joint publications

Jerome M Fox

3 joint publications

Caitlin C Bannan

3 joint publications

Simon Boothroyd

Frequent Collaborators

11 joint publications

John D Chodera

10 joint publications

David Mobley

6 joint publications

Anika J Friedman

5 joint publications

Michael K Gilson