By Associate Professor Junming Ho

Journal articles

Ho J; Coote ML; Easton CJ, 2011, 'The distal effect of N-electron-withdrawing groups on the stability of peptide carbon radicals', Australian Journal of Chemistry, 64, pp. 403 - 408, http://dx.doi.org/10.1071/CH11003

Ho J; Klamt A; Coote ML, 2010, 'Comment on the correct use of continuum solvent models', Journal of Physical Chemistry A, 114, pp. 13442 - 13444, http://dx.doi.org/10.1021/jp107136j

Ho J; Coote ML; Franco-Pérez M; Gómez-Balderas R, 2010, 'First-principles prediction of the pKas of anti-inflammatory oxicams', Journal of Physical Chemistry A, 114, pp. 11992 - 12003, http://dx.doi.org/10.1021/jp107890p

Ho J; Easton CJ; Coote ML, 2010, 'The distal effect of electron-withdrawing groups and hydrogen bonding on the stability of peptide enolates', Journal of the American Chemical Society, 132, pp. 5515 - 5521, http://dx.doi.org/10.1021/ja100996z

Ho J; Coote ML, 2009, 'PKa calculation of some biologically important carbon acids - An assessment of contemporary theoretical procedures', Journal of Chemical Theory and Computation, 5, pp. 295 - 306, http://dx.doi.org/10.1021/ct800335v

Ho J; Coote ML, 2009, 'A universal approach for continuum solvent pKa calculations: Are we there yet?', Theoretical Chemistry Accounts, 125, pp. 3 - 21, http://dx.doi.org/10.1007/s00214-009-0667-0

Fan Y; Ho J; Bettens RPA, 2006, 'Approximating coupled cluster level vibrational frequencies with composite methods', Journal of Physical Chemistry A, 110, pp. 2796 - 2800, http://dx.doi.org/10.1021/jp0562330

SU DR; HO JM, 1993, 'FORMATION OF BULK METAL FROM A CLUSTER IN A STATISTICAL-MODEL', CHINESE JOURNAL OF PHYSICS, 31, pp. 521 - 536, https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:A1993LQ81300005&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1

Conference Papers

Pantouris G; Ho J; Berlow R; Yang Y; Syed M; Shah D; Bhandari V; Batista V; Loria P; Lolis E, 2017, 'Macrophage migration inhibitory factor dynamics and biological functions', in FEBS JOURNAL, WILEY, ISRAEL, Jerusalem, pp. 204 - 204, presented at 42nd Congress of the Federation-of-European-Biochemical-Societies (FEBS) on From Molecules to Cells and Back, ISRAEL, Jerusalem, 10 September 2017 - 14 September 2017, https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000409918902321&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1

Hock K; Tran U; Mertens L; Gordon C; Ho J; Thanh N; Koenigs R, 2017, 'Phosphorus and sulfur- ylide mediated C(sp3)-C(sp3)-coupling reactions', in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, DC, Washington, presented at 254th National Meeting and Exposition of the American-Chemical-Society (ACS) on Chemistry's Impact on the Global Economy, DC, Washington, 20 August 2017 - 24 August 2017, https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000429556701870&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1

Ho J; Ragain C; Gascon J; Batista E; Loria JP; Batista V, 2015, 'MoD-QM/MM structural refinement method: Characterization of hydrogen bonding in the Oxytricha nova G-quadruplex', in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000411183303790&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1

Preprints

Pham PC; Taylor M; Nguyen G; Beltran J; Bennett J; Ho J; Donald W, 2023, Binding of Per- and Polyfluoroalkyl Substances to β-Lactoglobulin from Bovine Milk, http://dx.doi.org/10.26434/chemrxiv-2023-ncx12-v2

Pham PC; Taylor M; Nguyen G; Beltran J; Bennett J; Ho J; Donald W, 2023, Binding of Per- and Polyfluoroalkyl Substances to β-Lactoglobulin from Bovine Milk, http://dx.doi.org/10.26434/chemrxiv-2023-ncx12

He X; Wang M; Lorpaiboon W; Mun H; Taylor M; Ho J, 2023, Molecular Geometries and Vibrational Contributions to Reaction Thermochemistry Are Surprisingly Insensitive to Choice of Basis Set, http://dx.doi.org/10.26434/chemrxiv-2023-r0phz

Taylor M; Yu H; Ho J, 2022, Predicting Solvent Effects on SN2 Reaction Rates – Comparison of QM/MM, Implicit and MM Explicit Solvent Models, http://dx.doi.org/10.26434/chemrxiv-2022-qzpv9

Pan X; yang J; Van R; Epifanovsky E; Ho J; Huang J; Pu J; Mei Y; Nam K; Shao Y, 2021, Machine Learning Assisted Free Energy Simulation of Solution–Phase and Enzyme Reactions, http://dx.doi.org/10.26434/chemrxiv.14745510.v1

Pan X; yang J; Van R; Epifanovsky E; Ho J; Huang J; Pu J; Mei Y; Nam K; Shao Y, 2021, Machine Learning Assisted Free Energy Simulation of Solution–Phase and Enzyme Reactions, http://dx.doi.org/10.26434/chemrxiv.14745510

Jana S; Yang Z; Li F; Empel C; Ho J; Koenigs R, 2019, Photoinduced Proton Transfer Reactions for Mild O-H Functionalization Reactions of Unreactive Alcohols, http://dx.doi.org/10.26434/chemrxiv.10317947.v1

Jana S; Yang Z; Li F; Empel C; Ho J; Koenigs R, 2019, Photoinduced Proton Transfer Reactions for Mild O-H Functionalization Reactions of Unreactive Alcohols, http://dx.doi.org/10.26434/chemrxiv.10317947

Hussein MA; Tran UPN; Huynh VT; Ho J; Bhadbhade M; Mayr H; Nguyen TV, 2019, Halide Anion Activated Reactions of Michael Acceptors with Tropylium Ion, http://dx.doi.org/10.26434/chemrxiv.9639227

Hussein MA; Tran UPN; Huynh VT; Ho J; Bhadbhade M; Mayr H; Nguyen TV, 2019, Halide Anion Activated Reactions of Michael Acceptors with Tropylium Ion, http://dx.doi.org/10.26434/chemrxiv.9639227.v1

Pan X; Li P; Ho J; Pu J; Mei Y; Shao Y, 2019, Accelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. II. Recalibrating Semi-Empirical Parameters with Force Matching, http://dx.doi.org/10.26434/chemrxiv.8869412.v1

Hock KJ; Knorrscheidt A; Hommelsheim R; Ho J; Weissenborn MJ; Koenigs RM, 2018, Iron-Catalyzed C—H Insertions: Organometallic and Enzymatic Carbene Transfer Reactions, http://dx.doi.org/10.26434/chemrxiv.6011096.v1

Hock KJ; Knorrscheidt A; Hommelsheim R; Ho J; Weissenborn MJ; Koenigs RM, 2018, Iron-Catalyzed C—H Insertions: Organometallic and Enzymatic Carbene Transfer Reactions, http://dx.doi.org/10.26434/chemrxiv.6011096

Negre CFA; Morzan UN; Hendrickson H; Pal R; Lisi GP; Loria JP; Rivalta I; Ho J; Batista VS, 2017, Eigenvector Centrality Distribution for Characterization of Protein Allosteric Pathways, http://dx.doi.org/10.48550/arxiv.1706.02327

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