Renee L DesJarlais

7PUBLICATIONS
43CO-AUTHORS
Models and simulations of designBiomolecular modelling and designBiologically active moleculesPharmaceutical delivery technologiesOrganic chemical synthesis
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Publications (7)

|Dec 12, 2024
Toward Dose Prediction at Point of Design.

Dries Van Rompaey, Siladitya Ray Chaudhuri, Mazen Ahmad

|Nov 19, 2024
Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase.

Donya Ohadi, Kiran Kumar, Suchitra Ravula

|Jul 21, 2022
Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.

Guozhang Xu, Zhijie Liu, Xinkang Wang

|Nov 19, 2021
Novel Reagent Space: Identifying Unorderable but Readily Synthesizable Building Blocks.

Mark Seierstad, Mark S Tichenor, Renee L DesJarlais

|Sep 16, 2021
Development and implementation of an enterprise-wide predictive model for early absorption, distribution, metabolism and excretion properties.

Kiran Kumar, Vladimir Chupakhin, Ann Vos

|Jul 24, 2020
Tandem Suzuki Coupling/Intramolecular Oxetane Ring Opening to Form Polycyclic Ring Systems.

Lindsey G DeRatt, Edward C Lawson, Kiran Kumar

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Frequent Collaborators

2 joint publications

Justin Cisar

2 joint publications

Mark Seierstad

2 joint publications

Kiran Kumar

1 joint publications

Dries Van Rompaey