Eric E Simanek

17PUBLICATIONS
24CO-AUTHORS
Biologically active moleculesTheory and design of materialsBiomolecular modelling and designStructure and dynamics of materialsTheoretical quantum chemistry
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Publications (17)

|Apr 15, 2026
Synthesis and LCMS Characterization of a 1275-Member Library of 24-Atom Triazine Macrocycles Derived from Quantitative Dimerization Occurring with >99.9% Fidelity.

Liam E Claton, K Harsha Vardan Reddy, Samantha N Gaines

|Nov 27, 2025
A Competing Hydrogen Bond Network Offers Access to a New Conformation in 24-Atom Triazine Macrocycles.

K Harsha Vardan Reddy, Arshad Mehmood, Akop Yepremyan

|Oct 21, 2025
Designing Macrocycles to Adopt Persistent, Isoenergetic Conformations.

Liam E Claton, Gretel A Stokes, Annie L Downum

|Jun 18, 2025
Triazine Macrocycle Libraries: Synthesis, logD Prediction, and a Surprisingly Hydrophobic, Membrane-Permeable Diamine.

Gretel A Stokes, Casey J Patterson-Gardner, Alexander M Engstrom

|Mar 31, 2025
Choreoisosteres: Pseudoatom Variation in Macrocyclic Hinges Conserves Structure and Dynamics.

Alexander J Menke, Joseph H Reibenspies, Casey J Patterson-Gardner

|Jan 08, 2025
Installation of an Indole on the BRCA1 Disordered Domain Using Triazine Chemistry.

Liam E Claton, Chrissy Baker, Hayes Martin

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Frequent Collaborators

7 joint publications

Alexander J Menke

4 joint publications

Benjamin G Janesko

3 joint publications

Riccardo Capelli

3 joint publications

Giovanni M Pavan