Fangqiang Zhu

Publication Activity (10 Years)

Years Active: 2006-2021
Publications (10 Years): 6

Top Topics

Histogram Analysis

Mass Spectrometry

Monte Carlo Simulation

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Garrett A. Stevenson, Derek Jones, Hyojin Kim, W. F. Drew Bennett, Brian J. Bennion, Monica Borucki, Feliza Bourguet, Aidan Epstein, Magdalena Franco, Brooke Harmon, Stewart He, Max P. Katz, Daniel A. Kirshner, Victoria Lao, Edmond Y. Lau, Jacky Lo, Kevin McLoughlin, Richard Mosesso, Deepa K. Murugesh, Oscar A. Negrete, Edwin A. Saada, Brent Segelke, Maxwell Stefan, Marisa W. Torres, Dina Weilhammer, Sergio E. Wong, Yue Yang, Adam T. Zemla, Xiaohua Zhang, Fangqiang Zhu, Felice C. Lightstone, Jonathan E. Allen
High-throughput virtual screening of small molecule inhibitors for SARS-CoV-2 protein targets with deep fusion models. SC (2021)
Garrett A. Stevenson, Derek Jones, Hyojin Kim, W. F. Drew Bennett, Brian J. Bennion, Monica Borucki, Feliza Bourguet, Aidan Epstein, Magdalena Franco, Brooke Harmon, Stewart He, Max P. Katz, Daniel A. Kirshner, Victoria Lao, Edmond Y. Lau, Jacky Lo, Kevin McLoughlin, Richard Mosesso, Deepa K. Murugesh, Oscar A. Negrete, Edwin A. Saada, Brent Segelke, Maxwell Stefan, Marisa W. Torres, Dina Weilhammer, Sergio E. Wong, Yue Yang, Adam T. Zemla, Xiaohua Zhang, Fangqiang Zhu, Felice C. Lightstone, Jonathan E. Allen
High-Throughput Virtual Screening of Small Molecule Inhibitors for SARS-CoV-2 Protein Targets with Deep Fusion Models. CoRR (2021)
Fangqiang Zhu, Xiaohua Zhang, Jonathan E. Allen, Derek Jones, Felice C. Lightstone
Binding Affinity Prediction by Pairwise Function Based on Neural Network. J. Chem. Inf. Model. 60 (6) (2020)
Xiaoyan Zhou, Fangqiang Zhu
Calculating Single-Channel Permeability and Conductance from Transition Paths. J. Chem. Inf. Model. 59 (2) (2019)
Hao Sha, Fangqiang Zhu
Parameter Optimization for Interaction between C-Terminal Domains of HIV-1 Capsid Protein. J. Chem. Inf. Model. 57 (5) (2017)
Fangqiang Zhu, Bo Chen
Monte Carlo Simulations of HIV Capsid Protein Homodimer. J. Chem. Inf. Model. 55 (7) (2015)
Fangqiang Zhu, Gerhard Hummer
Convergence and error estimation in free energy calculations using the weighted histogram analysis method. J. Comput. Chem. 33 (4) (2012)
Pu Liu, Fangqiang Zhu, Dmitrii N. Rassokhin, Dimitris K. Agrafiotis
A Self-Organizing Algorithm for Modeling Protein Loops. PLoS Comput. Biol. 5 (8) (2009)
Pascal Bonnet, Dimitris K. Agrafiotis, Fangqiang Zhu, Eric J. Martin
Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss. J. Chem. Inf. Model. 49 (10) (2009)
Dimitris K. Agrafiotis, Alan C. Gibbs, Fangqiang Zhu, Sergei Izrailev, Eric J. Martin
Conformational Sampling of Bioactive Molecules: A Comparative Study. J. Chem. Inf. Model. 47 (3) (2007)
Fangqiang Zhu, Dimitris K. Agrafiotis
Recursive Distance Partitioning Algorithm for Common Pharmacophore Identification. J. Chem. Inf. Model. 47 (4) (2007)
Fangqiang Zhu, Dimitris K. Agrafiotis
Self-organizing superimposition algorithm for conformational sampling. J. Comput. Chem. 28 (7) (2007)
Sergei Izrailev, Fangqiang Zhu, Dimitris K. Agrafiotis
A distance geometry heuristic for expanding the range of geometries sampled during conformational search. J. Comput. Chem. 27 (16) (2006)