Jessica M Grandner

7PUBLICATIONS
21CO-AUTHORS
Molecular targetsCheminformatics and quantitative structure-activity relationshipsBiologically active moleculesMedical mycologyBiomolecular modelling and design
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Publications (7)

|Jun 22, 2026
Utilizing Molecular Dynamics and Mechanistic Pharmacokinetic Studies in the Design of Selective CDK2 Inhibitors.

|Jun 18, 2025
Optimization of Brain Penetrant SARM1 Orthosteric Inhibitors and Discovery of Their Paradoxical Subinhibitory Activation.

Samantha A Green, Russell T Smith, Jessica M Grandner

|Sep 22, 2023
Discovery of Selective Tertiary Amide Inhibitors of Cyclin-Dependent Kinase 2 (CDK2).

Mingshuo Zeng, Jessica M Grandner, Marian C Bryan

|Oct 08, 2020
Computational-Based Mechanistic Study and Engineering of Cytochrome P450 MycG for Selective Oxidation of 16-Membered Macrolide Antibiotics.

Song Yang, Matthew D DeMars, Jessica M Grandner

|Mar 03, 2020
Structure-based discovery of potent and selective melatonin receptor agonists.

Nilkanth Patel, Xi Ping Huang, Jessica M Grandner

|Oct 09, 2018
Mechanism of Permanganate-Promoted Dihydroxylation of Complex Diketopiperazines: Critical Roles of Counter-cation and Ion-Pairing.

Brandon E Haines, Brandon M Nelson, Jessica M Grandner

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Frequent Collaborators

3 joint publications

K N Houk

2 joint publications

Jeremy Murray

1 joint publications

Robert H Grubbs

1 joint publications

Peng Liu