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List of works by Wenbo Yu

Comparison of some representative density functional theory and wave function theory methods for the studies of amino acids

scientific article published on 01 March 2009

Comprehensive conformational studies of five tripeptides and a deduced method for efficient determinations of peptide structures.

scientific article published on 10 February 2012

Electronic structures and electron detachment energies of halogen substituted acetate anions, XCH2COO- (X=F,Cl,Br)

scientific article published on 01 March 2007

Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulations.

scientific article

Optimization of a Benzothiazole Indolene Scaffold Targeting Bacterial Cell Wall Assembly

scientific article published on 10 February 2020

Reproducing Crystal Binding Modes of Ligand Functional Groups Using Site-Identification by Ligand Competitive Saturation (SILCS) Simulations ⬇️

scientific article published on April 25, 2011

Six-site polarizable model of water based on the classical Drude oscillator ⬇️

scientific article published on January 21, 2013

Targeting zymogen activation to control the matriptase-prostasin proteolytic cascade.

scientific article

The SKI complex is a broad-spectrum, host-directed antiviral drug target for coronaviruses, influenza, and filoviruses

scientific article published on 12 November 2020

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