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Physical Chemistry Chemical Physics : PCCP|November 23, 2018
Factors governing when a metal-bound water is deprotonated in proteinsCédric Grauffel, Carmay LimThe Journal of Physical Chemistry. B|November 13, 2015
Factors Governing the Bridging Water Protonation State in Polynuclear Mg(2+) ProteinsCédric Grauffel, Carmay LimJournal of Chemical Theory and Computation|March 8, 2017
How Molecular Size Impacts RMSD Applications in Molecular Dynamics SimulationsKaren Sargsyan, Cédric Grauffel, Carmay LimJournal of the American Chemical Society|September 13, 2016
Influence of the Selectivity Filter Properties on Proton Selectivity in the Influenza A M2 ChannelTodor Dudev, Cédric Grauffel, Carmay LimJournal of Chemical Theory and Computation|November 13, 2019
Why Cellular Di/Triphosphates Preferably Bind Mg2+ and Not Ca2Cédric Grauffel, Todor Dudev, Carmay LimJournal of Chemical Theory and Computation|April 5, 2021
Metal Affinity/Selectivity of Monophosphate-Containing Signaling/Lipid MoleculesCédric Grauffel, Todor Dudev, Carmay LimScientific Reports|February 15, 2017
How Native and Alien Metal Cations Bind ATP: Implications for Lithium as a Therapeutic AgentTodor Dudev, Cédric Grauffel, Carmay LimThe Journal of Physical Chemistry. B|September 13, 2021
Calcium in Signaling: Its Specificity and Vulnerabilities toward Biogenic and Abiogenic Metal IonsTodor Dudev, Cédric Grauffel, Carmay LimInorganic Chemistry|November 10, 2018
How Pb2+ Binds and Modulates Properties of Ca2+-Signaling ProteinsTodor Dudev, Cédric Grauffel, Carmay LimPhysical Chemistry Chemical Physics : PCCP|November 17, 2018
An efficient protocol for computing the pKa of Zn-bound waterCédric Grauffel, Benjamin Chu, Carmay LimPageof 5