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Physical Chemistry Chemical Physics : PCCP|June 29, 2010
Hydrolysis of cisplatin--a first-principles metadynamics studyJustin Kai-Chi Lau, Bernd EnsingJournal of Chemical Theory and Computation|December 3, 2015
Hydrolysis of the Anticancer Drug Cisplatin: Pitfalls in the Interpretation of Quantum Chemical CalculationsJustin Kai-Chi Lau, Dirk V DeubelChemical Communications (Cambridge, England)|June 8, 2006
In silico evolution of substrate selectivity: comparison of organometallic ruthenium complexes with the anticancer drug cisplatinDirk V Deubel, Justin Kai-Chi LauBiopolymers|August 18, 2012
An update view on the substrate recognition mechanism of phosphodiesterases: a computational study of PDE10 and PDE4 bound with cyclic nucleotidesJustin Kai-Chi Lau, Yuen-Kit ChengBioorganic & Medicinal Chemistry Letters|September 5, 2006
SER-HIS-ASP catalytic triad in model non-aqueous solvent environment: a computational studyJustin Kai-Chi Lau, Yuen-Kit ChengChemistry (Weinheim an Der Bergstrasse, Germany)|March 4, 2005
Loss of amine from platinum(II) complexes: implications for cisplatin inactivation, storage, and resistanceJustin Kai-Chi Lau, Dirk V DeubelThe Journal of Physical Chemistry. B|March 31, 2010
A substrate selectivity and inhibitor design lesson from the PDE10-cAMP crystal structure: a computational studyJustin Kai-Chi Lau, Xiao-Bo Li, Yuen-Kit ChengThe Journal of Physical Chemistry. A|July 16, 2020
Optimizing the Energetics of FLP-Type H2 Activation by Modulating the Electronic and Structural Properties of the Lewis Acids: A DFT StudyMojgan Heshmat, Bernd EnsingThe Journal of Physical Chemistry. B|October 25, 2019
Microscopic Picture of the Solvent Reorganization During Electron Transfer to Flavin in WaterMurat Kılıç, Bernd EnsingJournal of Chemical Theory and Computation|November 24, 2015
First and Second One-Electron Reduction of Lumiflavin in Water-A First Principles Molecular Dynamics StudyMurat Kılıç, Bernd EnsingPageof 10