Renée L. DesJarlais

Johnson & Johnson (United States) — United States

Computer Science · Physical Sciences

32h-index3.8kcitations82works2.72yr avg
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Research Topics

Computational Drug Discovery Methods(19), Chemical Synthesis and Analysis(11), Peptidase Inhibition and Analysis(10), HIV/AIDS drug development and treatment(9), Protease and Inhibitor Mechanisms(8)

Publications82 total

Toward Dose Prediction at Point of Design
Journal of Medicinal Chemistry·2024· 5 cited
Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase
Journal of Chemical Information and Modeling·2024· 3 cited
Molecular determinants of ASIC1 modulation by divalent cations
Scientific Reports·2024Open Access
Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions
Journal of Medicinal Chemistry·2022· 16 citedOpen Access
Novel Reagent Space: Identifying Unorderable but Readily Synthesizable Building Blocks
ACS Medicinal Chemistry Letters·2021· 8 citedOpen Access
Development and Implementation of an enterprise-wide Predictive Model for Early absorption, distribution, Metabolism and Excretion Properties
Future Medicinal Chemistry·2021· 21 citedOpen Access
Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1
Communications Biology·2021· 21 citedOpen Access
Hit-to-lead optimization and discovery of a potent, and orally bioavailable G protein coupled receptor kinase 2 (GRK2) inhibitor
Bioorganic & Medicinal Chemistry Letters·2020· 5 citedOpen Access
Tandem Suzuki Coupling/Intramolecular Oxetane Ring Opening to Form Polycyclic Ring Systems
Organic Letters·2020· 24 cited
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis
Journal of Medicinal Chemistry·2020· 236 citedOpen Access
Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery
Journal of Medicinal Chemistry·2020· 5 cited
Discovery of potent and orally bioavailable indazole-based glucagon receptor antagonists for the treatment of type 2 diabetes
Bioorganic & Medicinal Chemistry Letters·2019· 5 citedOpen Access
Design, synthesis and structure activity relationships of indazole and indole derivatives as potent glucagon receptor antagonists
Bioorganic & Medicinal Chemistry Letters·2019· 20 citedOpen Access
6-Benzhydryl-4-amino-quinolin-2-ones as Potent Cannabinoid Type 1 (CB<sub>1</sub>) Receptor Inverse Agonists and Chemical Modifications for Peripheral Selectivity
Journal of Medicinal Chemistry·2018· 17 citedOpen Access
Computational chemistry at Janssen
Journal of Computer-Aided Molecular Design·2016· 17 cited
Collaborating to improve the use of free-energy and other quantitative methods in drug discovery
Journal of Computer-Aided Molecular Design·2016· 59 cited
Role of Histone-Modifying Enzymes and Their Complexes in Regulation of Chromatin Biology
Biochemistry·2016· 91 cited
Enhancement of kinase selectivity in a potent class of arylamide FMS inhibitors
Bioorganic & Medicinal Chemistry Letters·2013· 4 citedOpen Access
Insights from Structural Analysis of cFMS/Inhibitor Complexes: Common Interactions Via Three Structurally Dissimilar Scaffolds
Current Topics in Medicinal Chemistry·2012
Optimization of a Potent Class of Arylamide Colony-Stimulating Factor-1 Receptor Inhibitors Leading to Anti-inflammatory Clinical Candidate 4-Cyano-<i>N</i>-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1<i>H</i>-imidazole-2-carboxamide (JNJ-28312141)
Journal of Medicinal Chemistry·2011· 32 citedOpen Access
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Frequent Co-authors

Baoguang Zhao(9), Sherin S. Abdel‐Meguid(9), Carl Crysler(9), Carl L. Manthey(9), Bruce E. Tomczuk(9), Thaddeus A. Tomaszek(8), Carsten J. Schubert(7), Carl R. Illig(7), Christopher J. Molloy(7), Margery A. Chaikin(7), Mark R. Player(7), Maxwell D. Cummings(6), Ward W. Smith(6), Cheryl A. Janson(6), Daniel F. Veber(6), Kenneth J. Wilson(6), Scott K. Thompson(5), Mark A. Levy(5), Richard Söll(5), Roger Bone(5)