Adrian Whitty

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 11

Top Topics

Capillary Electrophoresis

Molecular Dynamics

Top Venues

Journal of medicinal chemistry

Journal of the American Chemical Society

Proceedings of the National Academy of Sciences of the United States of America

This page only lists publications with an associated author ORCID identifier.

Publications

Samantha N Muellers, Karen N Allen, Adrian Whitty
MEnTaT: A machine-learning approach for the identification of mutations to increase protein stability. Proceedings of the National Academy of Sciences of the United States of America 120 (49) (2023)
Mikhail Ignatov, Akhil Jindal, Sergei Kotelnikov, Dmitri Beglov, Ganna Posternak, Xiaojing Tang, Pierre Maisonneuve, Gennady Poda, Robert T Batey, Frank Sicheri, Adrian Whitty, Peter J Tonge, Sandor Vajda, Dima Kozakov
High Accuracy Prediction of PROTAC Complex Structures. Journal of the American Chemical Society (2023)
Christopher J DiRusso, Anthony M DeMaria, Judy Wong, Jack J Jordanides, Adrian Whitty, Karen N Allen, Thomas D Gilmore
A Conserved Core Region of the Scaffold NEMO is Essential for Signal-induced Conformational Change and Liquid-liquid Phase Separation. bioRxiv : the preprint server for biology (2023)
Anna A Rzepiela, Lauren A Viarengo-Baker, Victor Tatarskii, Roman Kombarov, Adrian Whitty
Conformational Effects on the Passive Membrane Permeability of Synthetic Macrocycles. Journal of medicinal chemistry 65 (15) (2022)
Lauren A Viarengo-Baker, Lauren E Brown, Anna A Rzepiela, Adrian Whitty
Defining and navigating macrocycle chemical space. Chemical science 12 (12) (2021)
Paula C Ortet, Samantha N Muellers, Lauren A Viarengo-Baker, Kristina Streu, Blair R Szymczyna, Aaron B Beeler, Karen N Allen, Adrian Whitty
Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. Journal of the American Chemical Society 143 (10) (2021)
Amanda E Wakefield, Christine Yueh, Dmitri Beglov, Marcelo Santos Castilho, Dima Kozakov, György Miklós Keserű, Adrian Whitty, Sandor Vajda
Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery. Journal of chemical information and modeling 60 (12) (2020)
Mengqi Zhong, Andrew Lynch, Samantha N Muellers, Stefan Jehle, Lingqi Luo, David R Hall, Reina Iwase, James P Carolan, Megan Egbert, Amanda Wakefield, Kristina Streu, Christine M Harvey, Paula C Ortet, Dima Kozakov, Sandor Vajda, Karen N Allen, Adrian Whitty
Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry 59 (4) (2020)
Robert Shaffer, Anthony M DeMaria, Larisa Kagermazova, Yuekun Liu, Milad Babaei, Suhaily Caban-Penix, Arisdelsy Cervantes, Stefan Jehle, Lee Makowski, Thomas D Gilmore, Adrian Whitty, Karen N Allen
A Central Region of NF-κB Essential Modulator Is Required for IKKβ-Induced Conformational Change and for Signal Propagation. Biochemistry 58 (26) (2019)
Christine Yueh, Justin Rettenmaier, Bing Xia, David R Hall, Andrey Alekseenko, Kathryn A Porter, Krister Barkovich, Gyorgy Keseru, Adrian Whitty, James A Wells, Sandor Vajda, Dima Kozakov
Kinase Atlas: Druggability Analysis of Potential Allosteric Sites in Kinases. Journal of medicinal chemistry 62 (14) (2019)
Megan Egbert, Adrian Whitty, György M Keserű, Sandor Vajda
Why Some Targets Benefit from beyond Rule of Five Drugs. Journal of medicinal chemistry 62 (22) (2019)