Concepedia

Xiaohua Zhang

XZ

31

Publications

1.4K

Citations

19

H-Index

2005

Active since

Affiliations

Lawrence Livermore National Laboratory(Current)

Los Alamos National Laboratory

Frederick National Laboratory for Cancer Research

University of California, Santa Barbara

Oak Ridge National Laboratory

Xiaohua Zhang is an author at Lawrence Livermore National Laboratory specializing in engineering, natural sciences, and molecular biology.

ORCID

Top concepts

Publications per year

2005–2023

31

Publications

31

Urea-Functionalized M<sub>4</sub>L<sub>6</sub> Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions

Radu Custelcean, Peter V. Bonnesen, Nathan C. Duncan et al. · Journal of the American Chemical Society · 2012 · 231 citations

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A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin

Xiaohua Zhang, Horacio Pérez‐Sánchez, Felice C. Lightstone · Current Topics in Medicinal Chemistry · 2017 · 177 citations · Full text

Toward Fully Automated High Performance Computing Drug Discovery: A Massively Parallel Virtual Screening Pipeline for Docking and Molecular Mechanics/Generalized Born Surface Area Rescoring to Improve Enrichment

Xiaohua Zhang, Sergio Wong, Felice C. Lightstone · Journal of Chemical Information and Modeling · 2013 · 91 citations

Machine learning–driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins

Helgi I. Ingólfsson, Chris Neale, Timothy S. Carpenter et al. · Proceedings of the National Academy of Sciences · 2022 · 84 citations · Full text

Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines

Xiaohua Zhang, Sergio Wong, Felice C. Lightstone · Journal of Computational Chemistry · 2013 · 80 citations · Full text

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