By Associate Professor Junming Ho

Journal articles

Wenholz DS; Bhadbhade M; Kandemir H; Ho J; Kumar N; Black DS, 2019, 'Substituent effects in solid-state assembly of activated benzotriazoles', CrystEngComm, 21, pp. 835 - 842, http://dx.doi.org/10.1039/c8ce01757c

Negre CFA; Morzan UN; Hendrickson HP; Pal R; Lisi GP; Patrick Loria J; Rivalta I; Ho J; Batista VS, 2018, 'Eigenvector centrality for characterization of protein allosteric pathways', Proceedings of the National Academy of Sciences of the United States of America, 115, pp. E12201 - E12208, http://dx.doi.org/10.1073/pnas.1810452115

Sharp PP; Mikusek J; Ho J; Krenske EH; Banwell MG; Coote ML; Ward JS; Willis AC, 2018, 'Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate', Journal of Organic Chemistry, 83, pp. 13678 - 13690, http://dx.doi.org/10.1021/acs.joc.8b01766

Ho J; Shao Y; Kato J, 2018, 'Do better quality embedding potentials accelerate the convergence of QM/MM models? The case of solvated acid clusters', Molecules, 23, pp. 2466, http://dx.doi.org/10.3390/molecules23102466

Oss G; Ho J; Nguyen TV, 2018, 'Tropylium Ion Catalyzes Hydration Reactions of Alkynes', European Journal of Organic Chemistry, 2018, pp. 3974 - 3981, http://dx.doi.org/10.1002/ejoc.201800579

Pantouris G; Ho J; Shah D; Syed MA; Leng L; Bhandari V; Bucala R; Batista VS; Loria JP; Lolis EJ, 2018, 'Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74', Angewandte Chemie - International Edition, 57, pp. 7116 - 7119, http://dx.doi.org/10.1002/anie.201803191

Pantouris G; Ho J; Shah D; Syed MA; Leng L; Bhandari V; Bucala R; Batista VS; Loria JP; Lolis EJ, 2018, 'Nanosecond Dynamics Regulate the MIF‐Induced Activity of CD74', Angewandte Chemie, 130, pp. 7234 - 7237, http://dx.doi.org/10.1002/ange.201803191

Zwicker VE; Yuen KKY; Smith DG; Ho J; Qin L; Turner P; Jolliffe KA, 2018, 'Deltamides and Croconamides: Expanding the Range of Dual H-bond Donors for Selective Anion Recognition', Chemistry - A European Journal, 24, pp. 1140 - 1150, http://dx.doi.org/10.1002/chem.201704388

Mallo N; Foley ED; Iranmanesh H; Kennedy ADW; Luis ET; Ho J; Harper JB; Beves JE, 2018, 'Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches', Chemical Science, 9, pp. 8242 - 8252, http://dx.doi.org/10.1039/c8sc03218a

Tran UPN; Oss G; Pace DP; Ho J; Nguyen TV, 2018, 'Tropylium-promoted carbonyl-olefin metathesis reactions', Chemical Science, 9, pp. 5145 - 5151, http://dx.doi.org/10.1039/c8sc00907d

Chaudhuri S; Hedström S; Méndez-Hernández DD; Hendrickson HP; Jung KA; Ho J; Batista VS, 2017, 'Electron Transfer Assisted by Vibronic Coupling from Multiple Modes', Journal of Chemical Theory and Computation, 13, pp. 6000 - 6009, http://dx.doi.org/10.1021/acs.jctc.7b00513

Ho J; Zwicker VE; Yuen KKY; Jolliffe KA, 2017, 'Quantum chemical prediction of equilibrium acidities of ureas, deltamides, squaramides, and croconamides', Journal of Organic Chemistry, 82, pp. 10732 - 10736, http://dx.doi.org/10.1021/acs.joc.7b02083

Hock KJ; Hommelsheim R; Mertens L; Ho J; Nguyen TV; Koenigs RM, 2017, 'Corey-Chaykovsky Reactions of Nitro Styrenes Enable cis-Configured Trifluoromethyl Cyclopropanes', Journal of Organic Chemistry, 82, pp. 8220 - 8227, http://dx.doi.org/10.1021/acs.joc.7b00951

Wong JC; Zidar J; Ho J; Wang Y; Lee KK; Zheng J; Sullivan MB; You X; Kriegel R, 2017, 'Assessment of several machine learning methods towards reliable prediction of hormone receptor binding affinity', Chemical Data Collections, 9-10, pp. 114 - 124, http://dx.doi.org/10.1016/j.cdc.2017.05.002

Ho J; Kish E; Méndez-Hernández DD; WongCarter K; Pillai S; Kodis G; Niklas J; Poluektov OG; Gust D; Moore TA; Moore AL; Batista VS; Robert B; Gray HB, 2017, 'Triplet-triplet energy transfer in artificial and natural photosynthetic antennas', Proceedings of the National Academy of Sciences of the United States of America, 114, pp. E5513 - E5521, http://dx.doi.org/10.1073/pnas.1614857114

Guo Y; Hendrickson HP; Videla PE; Chen YN; Ho J; Sekharan S; Batista VS; Tully JC; Yan ECY, 2017, 'Probing the remarkable thermal kinetics of visual rhodopsin with E181Q and S186A mutants', Journal of Chemical Physics, 146, http://dx.doi.org/10.1063/1.4984818

Crocker RD; Hussein MA; Ho J; Nguyen TV, 2017, 'NHC-Catalyzed Metathesis and Phosphorylation Reactions of Disulfides: Development and Mechanistic Insights', Chemistry - A European Journal, 23, pp. 6259 - 6263, http://dx.doi.org/10.1002/chem.201700744

Chase HM; Ho J; Upshur MA; Thomson RJ; Batista VS; Geiger FM, 2017, 'Unanticipated Stickiness of α-Pinene', Journal of Physical Chemistry A, 121, pp. 3239 - 3246, http://dx.doi.org/10.1021/acs.jpca.6b12653

Kaya U; Tran UPN; Enders D; Ho J; Nguyen TV, 2017, 'N-Heterocyclic Olefin Catalyzed Silylation and Hydrosilylation Reactions of Hydroxyl and Carbonyl Compounds', Organic Letters, 19, pp. 1398 - 1401, http://dx.doi.org/10.1021/acs.orglett.7b00306

Howe ENW; Busschaert N; Wu X; Berry SN; Ho J; Light ME; Czech DD; Klein HA; Kitchen JA; Gale PA, 2016, 'PH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones', Journal of the American Chemical Society, 138, pp. 8301 - 8308, http://dx.doi.org/10.1021/jacs.6b04656

Ho J; Psciuk BT; Chase HM; Rudshteyn B; Upshur MA; Fu L; Thomson RJ; Wang HF; Geiger FM; Batista VS, 2016, 'Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulations Reveal a Rotationally Fluid Adsorption State of α-Pinene on Silica', Journal of Physical Chemistry C, 120, pp. 12578 - 12589, http://dx.doi.org/10.1021/acs.jpcc.6b03158

Chen R; Lu D; Xie Z; Feng J; Jia Z; Ho J; Coote ML; Wu Y; Monteiro MJ; Chung SH, 2016, 'Peptidomimetic star polymers for targeting biological ion channels', PLoS ONE, 11, http://dx.doi.org/10.1371/journal.pone.0152169

Ho J; Ertem MZ, 2016, 'Calculating Free Energy Changes in Continuum Solvation Models', Journal of Physical Chemistry B, 120, pp. 1319 - 1329, http://dx.doi.org/10.1021/acs.jpcb.6b00164

Mifflin AL; Velarde L; Ho J; Psciuk BT; Negre CFA; Ebben CJ; Upshur MA; Lu Z; Strick BL; Thomson RJ; Batista VS; Wang HF; Geiger FM, 2015, 'Accurate line shapes from sub-1 cm^-1 resolution sum frequency generation vibrational spectroscopy of α-pinene at room temperature', Journal of Physical Chemistry A, 119, pp. 1292 - 1302, http://dx.doi.org/10.1021/jp510700z

Ho J, 2015, 'Are thermodynamic cycles necessary for continuum solvent calculation of pKas and reduction potentials?', Physical Chemistry Chemical Physics, 17, pp. 2859 - 2868, http://dx.doi.org/10.1039/c4cp04538f

Ho J; Newcomer MB; Ragain CM; Gascon JA; Batista ER; Loria JP; Batista VS, 2014, 'MoD-QM/MM structural refinement method: Characterization of hydrogen bonding in the Oxytricha nova G-quadruplex', Journal of Chemical Theory and Computation, 10, pp. 5125 - 5135, http://dx.doi.org/10.1021/ct500571k

Anderson P; Petit A; Ho J; Mitoraj MP; Coote ML; Danovich D; Shaik S; Braïda B; Ess DH, 2014, 'Protonated alcohols are examples of complete charge-shift bonds', Journal of Organic Chemistry, 79, pp. 9998 - 10001, http://dx.doi.org/10.1021/jo501549q

Marenich AV; Ho J; Coote ML; Cramer CJ; Truhlar DG, 2014, 'Computational electrochemistry: Prediction of liquid-phase reduction potentials', Physical Chemistry Chemical Physics, 16, pp. 15068 - 15106, http://dx.doi.org/10.1039/c4cp01572j

Ho J, 2014, 'Predicting pKa in implicit solvents: Current status and future directions', Australian Journal of Chemistry, 67, pp. 1441 - 1460, http://dx.doi.org/10.1071/CH14040

Ho J; Zheng J; Meana-Pañeda R; Truhlar DG; Ko EJ; Savage GP; Williams CM; Coote ML; Tsanaktsidis J, 2013, 'Chloroform as a hydrogen atom donor in barton reductive decarboxylation reactions', Journal of Organic Chemistry, 78, pp. 6677 - 6687, http://dx.doi.org/10.1021/jo400927y

Guimard NK; Ho J; Brandt J; Yeh Lin C; Namazian M; Mueller JO; Oehlenschlaeger KK; Hilf S; Lederer A; Schmidt FG; Coote ML; Barner-Kowollik C, 2013, 'Harnessing entropy to direct the bonding/debonding of polymer systems based on reversible chemistry', Chemical Science, 4, pp. 2752 - 2759, http://dx.doi.org/10.1039/c3sc50642h

Ho J; Coote ML, 2013, 'ChemInform Abstract: First‐principles Prediction of Acidities in the Gas and Solution Phase', ChemInform, 44, http://dx.doi.org/10.1002/chin.201309242

Ho J; Lee WY; Koh KJT; Lee PPF; Yan YK, 2013, 'Rhenium(I) tricarbonyl complexes of salicylaldehyde semicarbazones: Synthesis, crystal structures and cytotoxicity', Journal of Inorganic Biochemistry, 119, pp. 10 - 20, http://dx.doi.org/10.1016/j.jinorgbio.2012.10.011

Pasfield LA; delaCruz L; Ho J; Coote ML; Otting G; Mcleod MD, 2013, 'Synthesis of (±)-Panduratin A and related natural products using the high pressure diels-alder reaction', Asian Journal of Organic Chemistry, 2, pp. 60 - 63, http://dx.doi.org/10.1002/ajoc.201200171

Biegasiewicz KF; Ingalsbe ML; St. Denis JD; Gleason JL; Ho J; Coote ML; Savage GP; Priefer R, 2012, 'Evaluation of a chiral cubane-based Schiff base ligand in asymmetric catalysis reactions', Beilstein Journal of Organic Chemistry, 8, pp. 1814 - 1818, http://dx.doi.org/10.3762/bjoc.8.207

Heinrich N; Willis AC; Cade IA; Ho J; Coote ML; Banwell MG, 2012, 'Reversible cyclopropane ring-cleavage reactions within etheno-bridged [4.3.1]propelladiene frameworks leading to aza- and oxa-[5.6.5.6] fenestratetraenes', Chemistry - A European Journal, 18, pp. 13585 - 13588, http://dx.doi.org/10.1002/chem.201202903

Gordon D; Chen R; Ho J; Coote ML; Chung SH, 2012, 'Rigid body brownian dynamics as a tool for studying ion channel blockers', Journal of Physical Chemistry B, 116, pp. 1933 - 1941, http://dx.doi.org/10.1021/jp210105f

Lu D; Coote ML; Ho J; Kilah N; Lin C-Y; Salem G; Weir M; Wills A; Wild BL; Dilda P, 2012, 'Resolution and improved synthesis of (±)-Arsenicin A: A Natural Adamantane-Type Tetraarsenical Possessing Strong Anti-Acute Promelocytic Leukemia Cell Line Activity', Organometallics, 31, pp. 1808 - 1816, http://dx.doi.org/10.1021/om201180d

Ho J; Coote ML, 2011, 'First-principles prediction of acidities in the gas and solution phase', Wiley Interdisciplinary Reviews: Computational Molecular Science, 1, pp. 649 - 660, http://dx.doi.org/10.1002/wcms.43

Ho J; Coote ML; Easton CJ, 2011, 'Validation of the distal effect of electron-withdrawing groups on the stability of peptide enolates and its exploitation in the controlled stereochemical inversion of amino acid derivatives', Journal of Organic Chemistry, 76, pp. 5907 - 5914, http://dx.doi.org/10.1021/jo200994z

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

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