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List of works by Fang Bai

A Generic Force Field for Protein Coarse-Grained Molecular Dynamics Simulation ⬇️

scientific article published on November 8, 2012

An accurate metalloprotein-specific scoring function and molecular docking program devised by a dynamic sampling and iteration optimization strategy

scientific article published on 17 March 2015

Bioactive conformational generation of small molecules: a comparative analysis between force-field and multiple empirical criteria based methods

scientific article

Cyndi: a multi-objective evolution algorithm based method for bioactive molecular conformational generation

scientific article

Discovery of novel selective inhibitors for EGFR-T790M/L858R.

scientific article published on 17 December 2011

Discovery of pteridin-7(8H)-one-based irreversible inhibitors targeting the epidermal growth factor receptor (EGFR) kinase T790M/L858R mutant.

scientific article published on 9 October 2013

Free energy landscape for the binding process of Huperzine A to acetylcholinesterase

scientific article published on 25 February 2013

Gambogic acid identifies an isoform-specific druggable pocket in the middle domain of Hsp90β

scientific article

Identification of matrine as a promising novel drug for hepatic steatosis and glucose intolerance with HSP72 as an upstream target

scientific article

Structural Basis for Molecular Recognition at Serotonin Receptors

scientific article

Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease

scientific article

The anti-apoptotic proteins NAF-1 and iASPP interact to drive apoptosis in cancer cells

scientific article published on 20 November 2018

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