Dr Junming Ho

Ho J; Askerka M; Batista ER; Gascon JA; Batista VS, 2016, 'The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes', in Voth GA (ed.), Computational Approaches for Studying Enzyme Mechanism, Academic Press, United States, pp. 443 - 481, http://dx.doi.org/10.1016/bs.mie.2016.05.021

Ho J; Coote M; Cramer C; Truhlar D, 2015, 'Theoretical Calculation of Reduction Potentials', in Organic Electrochemistry, pp. 229 - 259, http://dx.doi.org/10.1201/b19122-8

Ho J; Coote ML; Cramer CJ; Truhlar DG, 2015, 'Theoretical Calculation of Reduction Potentials', in Hammerich O; Speiser B (ed.), Organic Electrochemistry, Fifth Edition Revised and Expanded, CRC Press, pp. 229 - 259, http://dx.doi.org/10.1201/b19122

2015, 'Techniques For Studies Of Electrochemical Reactions In Solution', in Organic Electrochemistry, CRC Press, pp. 117 - 188, http://dx.doi.org/10.1201/b19122-8

Sandler I; Chen J; Taylor M; Sharma S; Ho J, 2021, 'Accuracy of DLPNO-CCSD(T): Effect of basis set and system size', Journal of Physical Chemistry A, vol. 125, pp. 1553 - 1563, http://dx.doi.org/10.1021/acs.jpca.0c11270

Sandler I; Harper JB; Ho J, 2021, 'Explanation of Substituent Effects on the Enolization of β-Diketones and β-Ketoesters', Journal of Chemical Education, vol. 98, pp. 1043 - 1048, http://dx.doi.org/10.1021/acs.jchemed.0c01076

Daryl Ariawan A; Mansour F; Richardson N; Bhadbhade M; Ho J; Hunter L, 2021, 'The effect of vicinal difluorination on the conformation and potency of histone deacetylase inhibitors', Molecules, vol. 26, http://dx.doi.org/10.3390/molecules26133974

Yu TT; Kuppusamy R; Yasir M; Hassan MM; Sara M; Ho J; Willcox MDP; Black DS; Kumar N, 2021, 'Polyphenylglyoxamide‐based amphiphilic small molecular peptidomimetics as antibacterial agents with anti‐biofilm activity', International Journal of Molecular Sciences, vol. 22, http://dx.doi.org/10.3390/ijms22147344

Lane JDE; Berry SN; Lewis W; Ho J; Jolliffe KA, 2021, 'Diaminomethylenemalononitriles and Diaminomethyleneindanediones as Dual Hydrogen Bond Donors for Anion Recognition', Journal of Organic Chemistry, vol. 86, pp. 4957 - 4964, http://dx.doi.org/10.1021/acs.joc.0c02801

Wang H; Leeming MG; Cochran BJ; Hook JM; Ho J; Nguyen GTH; Zhong L; Supuran CT; Donald WA, 2020, 'Nontargeted Identification of Plasma Proteins O-, N-, and S-Transmethylated by O-Methyl Organophosphates', Analytical Chemistry, vol. 92, pp. 15420 - 15428, http://dx.doi.org/10.1021/acs.analchem.0c03077

Jana S; Yang Z; Li F; Empel C; Ho J; Koenigs RM, 2020, 'Photoinduced Proton-Transfer Reactions for Mild O-H Functionalization of Unreactive Alcohols', Angewandte Chemie - International Edition, vol. 59, pp. 5562 - 5566, http://dx.doi.org/10.1002/anie.201915161

Mohammed AI; Ahmed AMA; Bhadbhade MM; Ho J; Read RW, 2020, 'Sugar-substituted fluorous 1,2,3-triazoles: Helical twists in fluoroalkyl chains and their molecular association in the solid state and correlations with physicochemical properties', Journal of Fluorine Chemistry, vol. 236, http://dx.doi.org/10.1016/j.jfluchem.2020.109536

Hussein MA; Tran UPN; Huynh VT; Ho J; Bhadbhade M; Mayr H; Nguyen TV, 2020, 'Halide Anion Triggered Reactions of Michael Acceptors with Tropylium Ion', Angewandte Chemie - International Edition, vol. 59, pp. 1455 - 1459, http://dx.doi.org/10.1002/anie.201910578

Sandler I; Larik FA; Mallo N; Beves JE; Ho J, 2020, 'Anion Binding Affinity: Acidity versus Conformational Effects', Journal of Organic Chemistry, vol. 85, pp. 8074 - 8084, http://dx.doi.org/10.1021/acs.joc.0c00888

Chen J; Chan B; Shao Y; Ho J, 2020, 'How accurate are approximate quantum chemical methods at modelling solute-solvent interactions in solvated clusters?', Physical Chemistry Chemical Physics, vol. 22, pp. 3855 - 3866, http://dx.doi.org/10.1039/c9cp06792b

Kennedy ADW; Sandler I; Andréasson J; Ho J; Beves JE, 2020, 'Visible-Light Photoswitching by Azobenzazoles', Chemistry - A European Journal, vol. 26, pp. 1103 - 1110, http://dx.doi.org/10.1002/chem.201904309

Wu YM; Salas YL; Leung YC; Hunter L; Ho J, 2020, 'Predicting Octanol-Water Partition Coefficients of Fluorinated Drug-Like Molecules: A Combined Experimental and Theoretical Study', Australian Journal of Chemistry, vol. 73, pp. 677 - 685, http://dx.doi.org/10.1071/CH19648

Hussein MA; Tran UPN; Huynh VT; Ho J; Bhadbhade M; Mayr H; Nguyen TV, 2020, 'Halide Anion Triggered Reactions of Michael Acceptors with Tropylium Ion', Angewandte Chemie, vol. 132, pp. 1471 - 1475, http://dx.doi.org/10.1002/ange.201910578

Jana S; Yang Z; Li F; Empel C; Ho J; Koenigs RM, 2020, 'Photoinduzierte Protonentransferreaktionen für milde O‐H‐Funktionalisierungsreaktionen unreaktiver Alkohole', Angewandte Chemie, vol. 132, pp. 5608 - 5613, http://dx.doi.org/10.1002/ange.201915161

Tejeda-Ferrari ME; Brown CL; Coutinho GCCC; Gomes de Sá GA; Palma JL; Llansola-Portoles MJ; Kodis G; Mujica V; Ho J; Gust D; Moore TA; Moore AL, 2019, 'Electronic Structure and Triplet–Triplet Energy Transfer in Artificial Photosynthetic Antennas', Photochemistry and Photobiology, vol. 95, pp. 211 - 219, http://dx.doi.org/10.1111/php.12979

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 mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching', Physical Chemistry Chemical Physics, vol. 21, pp. 20595 - 20605, http://dx.doi.org/10.1039/c9cp02593f

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

Wong S; Zhao J; Cao C; Wong CK; Kuchel RP; De Luca S; Hook JM; Garvey CJ; Smith S; Ho J; Stenzel MH, 2019, 'Just add sugar for carbohydrate induced self-assembly of curcumin', Nature Communications, vol. 10, http://dx.doi.org/10.1038/s41467-019-08402-y

Hock KJ; Knorrscheidt A; Hommelsheim R; Ho J; Weissenborn MJ; Koenigs RM, 2019, 'Tryptamine Synthesis by Iron Porphyrin Catalyzed C−H Functionalization of Indoles with Diazoacetonitrile', Angewandte Chemie - International Edition, vol. 58, pp. 3630 - 3634, http://dx.doi.org/10.1002/anie.201813631

Chen J; Shao Y; Ho J, 2019, 'Are Explicit Solvent Models More Accurate than Implicit Solvent Models? A Case Study on the Menschutkin Reaction', Journal of Physical Chemistry A, vol. 123, pp. 5580 - 5589, http://dx.doi.org/10.1021/acs.jpca.9b03995

Collins MA; Ho J, 2019, 'Accelerating the Calculation of Solute-Solvent Interaction Energies through Systematic Molecular Fragmentation', Journal of Physical Chemistry A, vol. 123, pp. 8476 - 8484, http://dx.doi.org/10.1021/acs.jpca.9b06041

Kundi V; Ho J, 2019, 'Predicting Octanol-Water Partition Coefficients: Are Quantum Mechanical Implicit Solvent Models Better than Empirical Fragment-Based Methods?', Journal of Physical Chemistry B, vol. 123, pp. 6810 - 6822, http://dx.doi.org/10.1021/acs.jpcb.9b04061

Foley EDB; Zenaidee MA; Tabor RF; Ho J; Beves JE; Donald WA, 2019, 'On the mechanism of protein supercharging in electrospray ionisation mass spectrometry: Effects on charging of additives with short- and long-chain alkyl constituents with carbonate and sulphite terminal groups', Analytica Chimica Acta: X, vol. 1, pp. Article no. 100004 - Article no. 100004, http://dx.doi.org/10.1016/j.acax.2018.100004

Hock KJ; Knorrscheidt A; Hommelsheim R; Ho J; Weissenborn MJ; Koenigs RM, 2019, 'Eisenporphyrin-katalysierte C-H-Funktionalisierung von Indol mit Diazoacetonitril für die Synthese von Tryptaminen', Angewandte Chemie, vol. 131, pp. 3669 - 3673, http://dx.doi.org/10.1002/ange.201813631

Wang H; Leeming MG; Ho J; Donald WA, 2019, 'Origin and Prediction of Highly Specific Bond Cleavage Sites in the Thermal Activation of Intact Protein Ions', Chemistry - A European Journal, vol. 25, pp. 823 - 834, http://dx.doi.org/10.1002/chem.201804668

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

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, vol. 24, pp. 1140 - 1150, http://dx.doi.org/10.1002/chem.201704388

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, vol. 130, pp. 7234 - 7237, http://dx.doi.org/10.1002/ange.201803191

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

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, vol. 115, pp. E12201 - E12208, http://dx.doi.org/10.1073/pnas.1810452115

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, vol. 57, pp. 7116 - 7119, http://dx.doi.org/10.1002/anie.201803191

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, vol. 9, pp. 8242 - 8252, http://dx.doi.org/10.1039/c8sc03218a

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, vol. 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, vol. 23, http://dx.doi.org/10.3390/molecules23102466

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, vol. 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, vol. 9-10, pp. 114 - 124, http://dx.doi.org/10.1016/j.cdc.2017.05.002

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, vol. 82, pp. 10732 - 10736, http://dx.doi.org/10.1021/acs.joc.7b02083

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, vol. 13, pp. 6000 - 6009, http://dx.doi.org/10.1021/acs.jctc.7b00513

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, vol. 23, pp. 6259 - 6263, http://dx.doi.org/10.1002/chem.201700744

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, vol. 114, pp. E5513 - E5521, http://dx.doi.org/10.1073/pnas.1614857114

Chase HM; Ho J; Upshur MA; Thomson RJ; Batista VS; Geiger FM, 2017, 'Unanticipated Stickiness of α-Pinene', Journal of Physical Chemistry A, vol. 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, vol. 19, pp. 1398 - 1401, http://dx.doi.org/10.1021/acs.orglett.7b00306

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, vol. 146, pp. 215104, http://dx.doi.org/10.1063/1.4984818

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

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, vol. 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, vol. 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, vol. 11, pp. e0152169, http://dx.doi.org/10.1371/journal.pone.0152169

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, vol. 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, vol. 17, pp. 2859 - 2868, http://dx.doi.org/10.1039/c4cp04538f

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, vol. 79, pp. 9998 - 10001, http://dx.doi.org/10.1021/jo501549q

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

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

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, vol. 10, pp. 5125 - 5135, http://dx.doi.org/10.1021/ct500571k

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, vol. 4, pp. 2752 - 2759, http://dx.doi.org/10.1039/c3sc50642h

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, vol. 78, pp. 6677 - 6687, http://dx.doi.org/10.1021/jo400927y

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, vol. 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, vol. 2, pp. 60 - 63, http://dx.doi.org/10.1002/ajoc.201200171

Ho J; Coote ML, 2013, 'ChemInform Abstract: First-principles Prediction of Acidities in the Gas and Solution Phase', ChemInform, vol. 44, pp. no - no, http://dx.doi.org/10.1002/chin.201309242

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, vol. 31, pp. 1808 - 1816, http://dx.doi.org/10.1021/om201180d

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, vol. 116, pp. 1933 - 1941, http://dx.doi.org/10.1021/jp210105f

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, vol. 18, pp. 13585 - 13588, http://dx.doi.org/10.1002/chem.201202903

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, vol. 8, pp. 1814 - 1818, http://dx.doi.org/10.3762/bjoc.8.207

Ho J; Coote ML, 2011, 'First-principles prediction of acidities in the gas and solution phase', Wiley Interdisciplinary Reviews: Computational Molecular Science, vol. 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, vol. 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, vol. 64, pp. 403 - 408, http://dx.doi.org/10.1071/CH11003

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, vol. 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, vol. 132, pp. 5515 - 5521, http://dx.doi.org/10.1021/ja100996z

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

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, vol. 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, vol. 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, vol. 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, vol. 31, pp. 521 - 536, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:A1993LQ81300005&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1

Su Z; Chen J; Ren W; Guo H; Jia C; Yin S; Ho J; Zhao C, 2021, '“Water-in-Sugar” Electrolytes Enable Ultrafast and Stable Electrochemical Naked Proton Storage', Small, vol. 17, http://dx.doi.org/10.1002/smll.202102375

Chen J; Kato J; Harper JB; Shao Y; Ho J, 2021, 'On the Accuracy of QM/MM Models: A Systematic Study of Intramolecular Proton Transfer Reactions of Amino Acids in Water', Journal of Physical Chemistry B, vol. 125, pp. 9304 - 9316, http://dx.doi.org/10.1021/acs.jpcb.1c04876

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', Journal of Chemical Theory and Computation, vol. 17, pp. 5745 - 5758, http://dx.doi.org/10.1021/acs.jctc.1c00565

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, Jerusalem, ISRAEL, pp. 204 - 204, presented at 42nd Congress of the Federation-of-European-Biochemical-Societies (FEBS) on From Molecules to Cells and Back, Jerusalem, ISRAEL, 10 September 2017 - 14 September 2017, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000409918902321&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, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000411183303790&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1

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

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

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

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

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

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

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

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