Lingle Wang

32PUBLICATIONS
55CO-AUTHORS
Biomolecular modelling and designPharmaceutical delivery technologiesBioinformatic methods developmentComputational chemistryChemical thermodynamics and energetics
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Publications (32)

|Oct 01, 2026
Conformational Preference Classification of Integrin-Binding Ligands Using Free Energy Perturbation.

|Dec 09, 2025
Toward Automated Physics-Based Absolute Drug Residence Time Predictions.

Zachary Smith, Davide Branduardi, Dmitry Lupyan

|Mar 05, 2025
A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study.

Dong Zhou, Imanuel Bier, Biswajit Santra

|Feb 20, 2025
Predicting Resistance to Small Molecule Kinase Inhibitors.

Anu Nagarajan, Katherine Amberg-Johnson, Evan Paull

|Jan 30, 2025
Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting Ligands.

Ara M Abramyan, Anna Bochicchio, Chuanjie Wu

|Dec 16, 2024
Leveraging the Thermodynamics of Protein Conformations in Drug Discovery.

Bin W Zhang, Mikolai Fajer, Wei Chen

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Frequent Collaborators

8 joint publications

Edward Harder

7 joint publications

Richard A Friesner

3 joint publications

Bin W Zhang

3 joint publications

Gregory A Ross