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Bernard R Brooks

25PUBLICATIONS
107CO-AUTHORS
Molecular targetsExperimental methods in fluid flow, heat and mass transferCheminformatics and quantitative structure-activity relationshipsFormal methods for softwareTheoretical quantum chemistry
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Journal

Publications (25)

Sort by Publication Date:
|Jun 15, 2026
Machine Learning-Driven Drug Repurposing for KRAS G12C and KRAS G12D Inhibition.

|Apr 06, 2026
Mechanism of Hydrolytic Instability of ZIF‑8 in Aqueous and Buffered Media: Implications on Drug Delivery Applications.

Eman Wahid, Worood A El-Mehalmey, Asmaa Naser

|Mar 16, 2026
Graph Neural Networks Model Based on Atomic Hybridization for Predicting Drug Targets.

Ashraf Mohamed, Noha Galal, Bernard R Brooks

|Jul 04, 2025
Accurate Free Energy Calculation via Multiscale Simulations Driven by Hybrid Machine Learning and Molecular Mechanics Potentials.

Xujian Wang, Xiongwu Wu, Bernard R Brooks

|Jun 10, 2025
Efficient and scalable electrostatics via spherical grids and treecode summation.

Andrew C Simmonett, Bernard R Brooks, Thomas A Darden

|Jun 09, 2025
Gauss-Legendre-spherical-t (GLST) cubature-based factorization of long-range electrostatics in simulations.

Wonmuk Hwang, James E Gonzales, Bernard R Brooks

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Frequent Collaborators

4 joint publications

Muhamed Amin

4 joint publications

James E Gonzales

3 joint publications

Wonmuk Hwang

3 joint publications

Andrew C Simmonett

3 joint publications

Kyungreem Han

3 joint publications

Ashraf Mohamed

2 joint publications

Samarjeet Prasad

2 joint publications

Nicolae-Viorel Buchete

2 joint publications

Naohiro Nishikawa

2 joint publications

Florentina Tofoleanu

Frequent Collaborators

4 joint publications

Muhamed Amin

4 joint publications

James E Gonzales

3 joint publications

Wonmuk Hwang

3 joint publications

Andrew C Simmonett