David Rogers

8PUBLICATIONS
29CO-AUTHORS
Theoretical quantum chemistrySequence analysisConcurrent/parallel systems and technologiesRadiation and matterEvolutionary computation
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Publications (8)

|Nov 21, 2023
QuantumScents: Quantum-Mechanical Properties for 3.5k Olfactory Molecules.

Jackson W Burns, David M Rogers

|Mar 28, 2023
SARS-CoV2 billion-compound docking.

David M Rogers, Rupesh Agarwal, Josh V Vermaas

|Aug 08, 2022
Supercomputing Pipelines Search for Therapeutics Against COVID-19.

Josh Vincent Vermaas, Ada Sedova, Matthew B Baker

|Jun 02, 2021
Free Energies of Hydrated Halide Anions: High Through-Put Computations on Clusters to Treat Rough Energy-Landscapes.

Diego T Gomez, Lawrence R Pratt, David M Rogers

|Dec 16, 2020
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.

A Acharya, R Agarwal, M B Baker

|Dec 08, 2020
Protein Conformational States-A First Principles Bayesian Method.

David M Rogers

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Frequent Collaborators

3 joint publications

Josh Vincent Vermaas

2 joint publications

Rupesh Agarwal

2 joint publications

Micholas D Smith

2 joint publications

Ada Sedova