Joseph P Bluck

5PUBLICATIONS
43CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsMolecular targetsComputational chemistryProteomics and intermolecular interactions (excl. medical proteomics)
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Publications (5)

|May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE.

|Mar 10, 2025
Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding.

Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi

|Mar 07, 2025
Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding.

Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi

|Oct 14, 2022
Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods.

Marko Breznik, Yunhui Ge, Joseph P Bluck

|Jul 13, 2021
Controlling Intramolecular Interactions in the Design of Selective, High-Affinity Ligands for the CREBBP Bromodomain.

Michael Brand, James Clayton, Mustafa Moroglu

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Frequent Collaborators

3 joint publications

John D Chodera

3 joint publications

Vytautas Gapsys

2 joint publications

Andrea Volkamer

2 joint publications

Clara D Christ