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Journal of the American Chemical Society|February 24, 2011
Multiscale simulation reveals multiple pathways for H2 and O2 transport in a [NiFe]-hydrogenasePo-hung Wang, Robert B Best, Jochen BlumbergerPhysical Chemistry Chemical Physics : PCCP|March 17, 2011
A microscopic model for gas diffusion dynamics in a [NiFe]-hydrogenasePo-hung Wang, Robert B Best, Jochen BlumbergerJournal of Chemical Theory and Computation|November 18, 2015
Identification of Mutational Hot Spots for Substrate Diffusion: Application to MyoglobinDavid De Sancho, Adam Kubas, Po-Hung Wang, et al.Proceedings of the National Academy of Sciences of the United States of America|April 12, 2012
Mechanistic insight into the blocking of CO diffusion in [NiFe]-hydrogenase mutants through multiscale simulationPo-hung Wang, Jochen BlumbergerJournal of the American Chemical Society|May 30, 2013
Uncovering a dynamically formed substrate access tunnel in carbon monoxide dehydrogenase/acetyl-CoA synthasePo-hung Wang, Maurizio Bruschi, Luca De Gioia, et al.Angewandte Chemie (International Ed. in English)|March 12, 2014
Aerobic damage to [FeFe]-hydrogenases: activation barriers for the chemical attachment of O2Adam Kubas, David De Sancho, Robert B Best, et al.Physical Chemistry Chemical Physics : PCCP|October 29, 2008
Free energies for biological electron transfer from QM/MM calculation: method, application and critical assessmentJochen BlumbergerCurrent Opinion in Chemical Biology|July 18, 2018
Electron transfer and transport through multi-heme proteins: recent progress and future directionsJochen BlumbergerJournal of the American Chemical Society|November 27, 2008
Cu(aq)+/Cu(aq)2+ redox reaction exhibits strong nonlinear solvent response due to change in coordination numberJochen BlumbergerJournal of Chemical Theory and Computation|December 13, 2018
Adsorption of Amino Acids on Gold: Assessing the Accuracy of the GolP-CHARMM Force Field and Parametrization of Au-S BondsZdenek Futera, Jochen BlumbergerPageof 27