R Thomas Williamson

35PUBLICATIONS
105CO-AUTHORS
Characterisation of biological macromoleculesContext learningCheminformatics and quantitative structure-activity relationshipsSolid mechanicsBiomolecular modelling and design
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Publications (35)

|May 18, 2026
CSCAN: Conformational Analysis of Macrocyclic Peptides through NMR Chemical Shifts.

|Feb 02, 2026
Uncertainty-Aware Learning of Multiple Conditions as a Framework for Streamlined Retention Time Prediction to Accelerate Method Development.

Armen G Beck, Gwenyth Jones, Andrew Singh

|Jan 30, 2025
Dedenser: A Python Package for Clustering and Downsampling Chemical Libraries.

Armen G Beck, Jonathan Fine, Yu-Hong Lam

|Apr 03, 2023
Unequivocal identification of two-bond heteronuclear correlations in natural products at nanomole scale by i-HMBC.

Yunyi Wang, Aili Fan, Ryan D Cohen

|Jan 26, 2023
A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles.

Ajay N Jain, Alexander C Brueckner, Ann E Cleves

|Nov 02, 2022
One-Step Regio- and Stereoselective Electrochemical Synthesis of Orexin Receptor Antagonist Oxidative Metabolites.

Huifang Yao, Edward C Sherer, Mei Lu

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Frequent Collaborators

5 joint publications

Leo A Joyce

5 joint publications

Ajay N Jain

5 joint publications

Mikhail Y Reibarkh

5 joint publications

Yu-Hong Lam