Ajay N Jain

16PUBLICATIONS

22CO-AUTHORS

Characterisation of biological macromoleculesBiomolecular modelling and designStructure and dynamics of materialsSolid mechanicsBiologically active molecules

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Publications (16)

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|May 18, 2026

CSCAN: Conformational Analysis of Macrocyclic Peptides through NMR Chemical Shifts.

|Oct 16, 2024

Structure-based pose prediction: Non-cognate docking extended to macrocyclic ligands.

Ann E Cleves, Himani Tandon, Ajay N Jain

|Apr 17, 2024

From UK-2A to florylpicoxamid: Active learning to identify a mimic of a macrocyclic natural product.

Ann E Cleves, Ajay N Jain, David A Demeter

|Mar 13, 2024

Correction: Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design.

Ajay N Jain, Alexander C Brueckner, Christine Jorge

|Aug 03, 2023

Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design.

Ajay N Jain, Alexander C Brueckner, Christine Jorge

|Jul 11, 2023

Unmasking the True Identity of Rapamycin's Minor Conformer.

Emily B Crull, Ajay N Jain, Paul C D Hawkins

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Frequent Collaborators

11 joint publications

Ann E Cleves

5 joint publications

Edward Sherer

3 joint publications

Alexander C Brueckner

Mikhail Y Reibarkh

Charles A Lesburg

Qiaolin Deng

Janet Caceres Cortes

Christine Jorge

Robert Thomas Williamson

2 joint publications

Qi Gao

Frequent Collaborators

11 joint publications

Ann E Cleves

5 joint publications

Edward Sherer

3 joint publications

Alexander C Brueckner

3 joint publications

Mikhail Y Reibarkh