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List of works by Ying-Lu Cui

Bioretrosynthesis of Functionalized N-Heterocycles from Glucose via One-Pot Tandem Collaborations of Designed Microbes

scientific article published on 21 July 2020

Computational redesign of a hydrolase for nearly complete PET depolymerization at industrially relevant high-solids loading

scientific article published in 2024

Computational redesign of enzymes for regio- and enantioselective hydroamination

scientific article published on 21 May 2018

Exploring the mechanism how Marburg virus VP35 recognizes and binds dsRNA by molecular dynamics simulations and free energy calculations

scientific article published on August 2014

Exploring the molecular basis of dsRNA recognition by Mss116p using molecular dynamics simulations and free-energy calculations

scientific article published on 22 August 2013

Fosfomycin induced structural change in fosfomycin resistance kinases FomA: molecular dynamics and molecular docking studies.

scientific article published on 27 April 2014

Highlighting a π-π interaction: a protein modeling and molecular dynamics simulation study on Anopheles gambiae glutathione S-transferase 1-2.

scientific article published on 12 October 2013

Investigation of ligand selectivity in CYP3A7 by molecular dynamics simulations.

scientific article published on 23 June 2015

Mechanism of a pH-induced peptide inserting into a POPC bilayer: a molecular dynamic study

scientific article published on 01 January 2014

Molecular basis of the recognition of arachidonic acid by cytochrome P450 2E1 along major access tunnel

scientific article published on January 2015

Molecular dynamic investigations of the mutational effects on structural characteristics and tunnel geometry in CYP17A1.

scientific article

Molecular dynamic modeling of CYP51B in complex with azole inhibitors

scientific article published on 13 May 2017

Molecular dynamics investigations of BioH protein substrate specificity for biotin synthesis

scientific article published on 24 July 2015

Molecular dynamics investigations of membrane-bound CYP2C19 polymorphisms reveal distinct mechanisms for peripheral variants by long-range effects on the enzymatic activity.

scientific article

Molecular dynamics investigations of regioselectivity of anionic/aromatic substrates by a family of enzymes: a case study of diclofenac binding in CYP2C isoforms

scientific article published on 15 June 2016

Mutation and low pH effect on the stability as well as unfolding kinetics of transthyretin dimer.

scientific article published on 3 March 2014

Structural and dynamic basis of human cytochrome P450 7B1: a survey of substrate selectivity and major active site access channels.

scientific article

Structural features and dynamic investigations of the membrane-bound cytochrome P450 17A1.

scientific article published on 27 May 2015

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