Ming-Hsun Ho, Ph.D. - Publications

2009 University of Pennsylvania, Philadelphia, PA, United States 
computer simulation of condensed molecular systems

17 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Ho MH, O'Hagan M, Dupuis M, DuBois DL, Bullock RM, Shaw WJ, Raugei S. Water-assisted proton delivery and removal in bio-inspired hydrogen production catalysts. Dalton Transactions (Cambridge, England : 2003). 44: 10969-79. PMID 25999141 DOI: 10.1039/C5Dt00782H  0.6
2015 Ho MH, Rousseau R, Roberts JAS, Wiedner ES, Dupuis M, Dubois DL, Bullock RM, Raugei S. Ab Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: The Case of H2 Production Electrocatalysts Acs Catalysis. 5: 5436-5452. DOI: 10.1021/Acscatal.5B01152  0.6
2014 Das P, Ho MH, O'Hagan M, Shaw WJ, Bullock RM, Raugei S, Helm ML. Controlling proton movement: electrocatalytic oxidation of hydrogen by a nickel(II) complex containing proton relays in the second and outer coordination spheres. Dalton Transactions (Cambridge, England : 2003). 43: 2744-54. PMID 24306451 DOI: 10.1039/C3Dt53074D  0.6
2014 Ginovska-Pangovska B, Ho MH, Linehan JC, Cheng Y, Dupuis M, Raugei S, Shaw WJ. Molecular dynamics study of the proposed proton transport pathways in [FeFe]-hydrogenase. Biochimica Et Biophysica Acta. 1837: 131-8. PMID 23981729 DOI: 10.1016/J.Bbabio.2013.08.004  0.6
2014 Chen S, Ho MH, Bullock RM, Dubois DL, Dupuis M, Rousseau R, Raugei S. Computing free energy landscapes: Application to Ni-based electrocatalysts with pendant amines for H2 production and oxidation Acs Catalysis. 4: 229-242. DOI: 10.1021/Cs401104W  0.6
2013 Reback ML, Ginovska-Pangovska B, Ho MH, Jain A, Squier TC, Raugei S, Roberts JA, Shaw WJ. The role of a dipeptide outer-coordination sphere on H2-production catalysts: influence on catalytic rates and electron transfer. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 1928-41. PMID 23233438 DOI: 10.1002/Chem.201202849  0.6
2013 Franz JA, O'Hagan M, Ho MH, Liu T, Helm ML, Lense S, Dubois DL, Shaw WJ, Appel AM, Raugei S, Bullock RM. Conformational dynamics and proton relay positioning in nickel catalysts for hydrogen production and oxidation Organometallics. 32: 7034-7042. DOI: 10.1021/Om400695W  0.6
2013 Stewart MP, Ho MH, Wiese S, Lindstrom ML, Thogerson CE, Raugei S, Bullock RM, Helm ML. High catalytic rates for hydrogen production using nickel electrocatalysts with seven-membered cyclic diphosphine ligands containing one pendant amine Journal of the American Chemical Society. 135: 6033-6046. DOI: 10.1021/ja400181a  0.6
2013 Ho MH, Raugei S, Rousseau R, Dupuis M, Bullock RM. Evaluation of the role of water in the H2 bond formation by Ni(II)-based electrocatalysts Journal of Chemical Theory and Computation. 9: 3505-3514. DOI: 10.1021/ct400396s  0.6
2012 O'Hagan M, Ho MH, Yang JY, Appel AM, Rakowski DuBois M, Raugei S, Shaw WJ, DuBois DL, Bullock RM. Proton delivery and removal in [Ni(P(R)2N(R')2)2]2+ hydrogen production and oxidation catalysts. Journal of the American Chemical Society. 134: 19409-24. PMID 23072436 DOI: 10.1021/Ja307413X  0.6
2012 Raugei S, Chen S, Ho MH, Ginovska-Pangovska B, Rousseau RJ, Dupuis M, DuBois DL, Bullock RM. The role of pendant amines in the breaking and forming of molecular hydrogen catalyzed by nickel complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 6493-506. PMID 22532421 DOI: 10.1002/Chem.201103346  0.6
2012 Lense S, Ho MH, Chen S, Jain A, Raugei S, Linehan JC, Roberts JAS, Appel AM, Shaw W. Incorporating amino acid esters into catalysts for hydrogen oxidation: Steric and electronic effects and the role of water as a base Organometallics. 31: 6719-6731. DOI: 10.1021/Om300409Y  0.6
2010 Sit PH, Migliore A, Ho MH, Klein ML. Quantum Mechanical and Quantum Mechanical/Molecular Mechanical Studies of the Iron-Dioxygen Intermediates and Proton Transfer in Superoxide Reductase. Journal of Chemical Theory and Computation. 6: 2896-909. PMID 26616089 DOI: 10.1021/Ct900599Q  0.6
2010 Ho MH, De Vivo M, Dal Peraro M, Klein ML. Understanding the effect of magnesium ion concentration on the catalytic activity of ribonuclease H through computation: Does a third metal binding site modulate endonuclease catalysis? Journal of the American Chemical Society. 132: 13702-13712. PMID 20731347 DOI: 10.1021/Ja102933Y  0.6
2009 Ho MH, Vivo MD, Peraro MD, Klein ML. Unraveling the Catalytic Pathway of Metalloenzyme Farnesyltransferase through QM/MM Computation. Journal of Chemical Theory and Computation. 5: 1657-66. PMID 26609858 DOI: 10.1021/Ct8004722  0.68
2009 Ho MH, Klein ML, Kuo IF. Bulk and interfacial aqueous fluoride: an investigation via first principles molecular dynamics. The Journal of Physical Chemistry. A. 113: 2070-4. PMID 19173578 DOI: 10.1021/Jp808735X  0.6
2009 Ho MH, De Vivo M, Peraro MD, Klein ML. Unraveling the catalytic pathway of metalloenzyme farnesyltransferase through QM/MM computation Journal of Chemical Theory and Computation. 5: 1657-1666. DOI: 10.1021/ct8004722  0.6
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