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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Publications (25)

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|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

Muhamed Amin

James E Gonzales

Wonmuk Hwang

Andrew C Simmonett

Kyungreem Han

Ashraf Mohamed

Samarjeet Prasad

Nicolae-Viorel Buchete

2 joint publications

Naohiro Nishikawa

2 joint publications

Florentina Tofoleanu

Frequent Collaborators

Muhamed Amin

James E Gonzales

Wonmuk Hwang

Andrew C Simmonett