Year |
Citation |
Score |
2022 |
Wu S, Chen J, Su Z, Guo H, Zhao T, Jia C, Stansby J, Tang J, Rawal A, Fang Y, Ho J, Zhao C. Molecular Crowding Electrolytes for Stable Proton Batteries. Small (Weinheim An Der Bergstrasse, Germany). e2202992. PMID 36156409 DOI: 10.1002/smll.202202992 |
0.605 |
|
2022 |
Chen J, Harper JB, Ho J. Improving the Accuracy of Quantum Mechanics/Molecular Mechanics (QM/MM) Models with Polarized Fragment Charges. Journal of Chemical Theory and Computation. PMID 35952004 DOI: 10.1021/acs.jctc.2c00491 |
0.599 |
|
2022 |
Su Z, Chen J, Stansby J, Jia C, Zhao T, Tang J, Fang Y, Rawal A, Ho J, Zhao C. Hydrogen-Bond Disrupting Electrolytes for Fast and Stable Proton Batteries. Small (Weinheim An Der Bergstrasse, Germany). e2201449. PMID 35557499 DOI: 10.1002/smll.202201449 |
0.593 |
|
2021 |
Su Z, Chen J, Ren W, Guo H, Jia C, Yin S, Ho J, Zhao C. "Water-in-Sugar" Electrolytes Enable Ultrafast and Stable Electrochemical Naked Proton Storage. Small (Weinheim An Der Bergstrasse, Germany). e2102375. PMID 34499420 DOI: 10.1002/smll.202102375 |
0.562 |
|
2021 |
Chen J, Kato J, Harper JB, Shao Y, Ho J. On the Accuracy of QM/MM Models: A Systematic Study of Intramolecular Proton Transfer Reactions of Amino Acids in Water. The Journal of Physical Chemistry. B. PMID 34355564 DOI: 10.1021/acs.jpcb.1c04876 |
0.6 |
|
2021 |
Sandler I, Chen J, Taylor M, Sharma S, Ho J. Accuracy of DLPNO-CCSD(T): Effect of Basis Set and System Size. The Journal of Physical Chemistry. A. PMID 33560853 DOI: 10.1021/acs.jpca.0c11270 |
0.587 |
|
2020 |
Sandler I, Larik FA, Mallo N, Beves JE, Ho J. Anion Binding Affinity - Acidity versus Conformational Effects. The Journal of Organic Chemistry. PMID 32407087 DOI: 10.1021/Acs.Joc.0C00888 |
0.348 |
|
2020 |
Chen J, Chan B, Shao Y, Ho J. How accurate are approximate quantum chemical methods at modelling solute-solvent interactions in solvated clusters? Physical Chemistry Chemical Physics : Pccp. PMID 32022044 DOI: 10.1039/C9Cp06792B |
0.64 |
|
2020 |
Wu YM, Salas YL, Leung YC, Hunter L, Ho J. Predicting Octanol–Water Partition Coefficients of Fluorinated Drug-Like Molecules: A Combined Experimental and Theoretical Study Australian Journal of Chemistry. 73: 677. DOI: 10.1071/Ch19648 |
0.326 |
|
2020 |
Mohammed AI, Ahmed AM, Bhadbhade MM, Ho J, Read RW. 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. 236: 109536. DOI: 10.1016/J.Jfluchem.2020.109536 |
0.319 |
|
2019 |
Jana S, Yang Z, Li F, Empel C, Ho J, Koenigs RM. Photoinduced proton transfer reactions for mild O-H functionalization reactions of unreactive alcohols. Angewandte Chemie (International Ed. in English). PMID 31880397 DOI: 10.1002/Anie.201915161 |
0.303 |
|
2019 |
Collins MA, Ho J. Accelerating the Calculation of Solute-Solvent Interaction Energies Through Systematic Molecular Fragmentation. The Journal of Physical Chemistry. A. PMID 31509417 DOI: 10.1021/Acs.Jpca.9B06041 |
0.347 |
|
2019 |
Pan X, Li P, Ho J, Pu J, Mei Y, Shao Y. 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 : Pccp. PMID 31508625 DOI: 10.1039/C9Cp02593F |
0.378 |
|
2019 |
Kundi V, Ho J. Predicting Octanol-Water Partition Coefficients: Are Quantum Mechanical Implicit Solvent Models Better than Empirical Fragment-Based Methods? The Journal of Physical Chemistry. B. PMID 31343883 DOI: 10.1021/Acs.Jpcb.9B04061 |
0.344 |
|
2019 |
Chen J, Shao Y, Ho J. Are Explicit Solvent Models More Accurate than Implicit Solvent Models? A Case Study on the Menschutkin Reaction. The Journal of Physical Chemistry. A. PMID 31244115 DOI: 10.1021/Acs.Jpca.9B03995 |
0.637 |
|
2018 |
Mallo N, Foley ED, Iranmanesh H, Kennedy ADW, Luis ET, Ho J, Harper JB, Beves JE. Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches. Chemical Science. 9: 8242-8252. PMID 30542573 DOI: 10.1039/C8Sc03218A |
0.311 |
|
2018 |
Negre CFA, Morzan UN, Hendrickson HP, Pal R, Lisi GP, Loria JP, Rivalta I, Ho J, Batista VS. Eigenvector centrality for characterization of protein allosteric pathways. Proceedings of the National Academy of Sciences of the United States of America. PMID 30530700 DOI: 10.1073/Pnas.1810452115 |
0.756 |
|
2018 |
Wang H, Leeming MG, Ho J, Donald WA. Origin and prediction of highly-specific bond cleavage sites in the thermal activation of intact protein ions. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30328640 DOI: 10.1002/Chem.201804668 |
0.311 |
|
2018 |
Sharp PP, Mikusek J, Ho J, Krenske EH, Banwell MG, Coote ML, Ward JS, Willis AC. 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. The Journal of Organic Chemistry. PMID 30281974 DOI: 10.1021/Acs.Joc.8B01766 |
0.674 |
|
2018 |
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. Electronic Structure and Triplet-Triplet Energy Transfer in Artificial Photosynthetic Antennas. Photochemistry and Photobiology. PMID 29981158 DOI: 10.1111/Php.12979 |
0.722 |
|
2018 |
Pantouris G, Ho J, Shah D, Syed MA, Leng L, Bhandari V, Bucala R, Batista VS, Loria JP, Lolis E. Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74. Angewandte Chemie (International Ed. in English). PMID 29669180 DOI: 10.2210/Pdb6Bg6/Pdb |
0.466 |
|
2017 |
Zwicker V, Yuen K, Smith D, Ho J, Qin L, Turner P, Jolliffe K. Deltamides and croconamides: expanding the range of dual H-bond donors for selective anion recognition. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29119615 DOI: 10.1002/Chem.201704388 |
0.307 |
|
2017 |
Chaudhuri S, Hedström S, Méndez-Hernández DD, Hendrickson HP, Jung KA, Ho J, Batista VS. Electron Transfer Assisted by Vibronic Coupling from Multiple Modes. Journal of Chemical Theory and Computation. PMID 29095611 DOI: 10.1021/Acs.Jctc.7B00513 |
0.729 |
|
2017 |
Ho J, Zwicker VE, Yuen KKY, Jolliffe KA. Quantum Chemical Prediction of Equilibrium Acidities of Ureas, Deltamides, Squaramides and Croconamides. The Journal of Organic Chemistry. PMID 28832145 DOI: 10.1021/Acs.Joc.7B02083 |
0.313 |
|
2017 |
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. Triplet-triplet energy transfer in artificial and natural photosynthetic antennas. Proceedings of the National Academy of Sciences of the United States of America. PMID 28652359 DOI: 10.1073/Pnas.1614857114 |
0.765 |
|
2017 |
Guo Y, Hendrickson HP, Videla PE, Chen YN, Ho J, Sekharan S, Batista VS, Tully JC, Yan ECY. Probing the remarkable thermal kinetics of visual rhodopsin with E181Q and S186A mutants. The Journal of Chemical Physics. 146: 215104. PMID 28595408 DOI: 10.1063/1.4984818 |
0.762 |
|
2017 |
Chase HM, Ho J, Upshur MA, Thomson RJ, Batista VS, Geiger FM. Unanticipated Stickiness of α-Pinene. The Journal of Physical Chemistry. A. PMID 28100048 DOI: 10.1021/Acs.Jpca.6B12653 |
0.516 |
|
2016 |
Askerka M, Ho J, Batista ER, Gascón JA, Batista VS. The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes. Methods in Enzymology. 577: 443-81. PMID 27498648 DOI: 10.1016/Bs.Mie.2016.05.021 |
0.78 |
|
2016 |
Chen R, Lu D, Xie Z, Feng J, Jia Z, Ho J, Coote ML, Wu Y, Monteiro MJ, Chung SH. Peptidomimetic Star Polymers for Targeting Biological Ion Channels. Plos One. 11: e0152169. PMID 27007701 DOI: 10.1371/Journal.Pone.0152169 |
0.486 |
|
2016 |
Ho J, Ertem MZ. Calculating Free Energy Changes in Continuum Solvation Models. The Journal of Physical Chemistry. B. PMID 26878566 DOI: 10.1021/Acs.Jpcb.6B00164 |
0.674 |
|
2016 |
Ho J, Psciuk BT, Chase HM, Rudshteyn B, Upshur MA, Fu L, Thomson RJ, Wang HF, Geiger FM, Batista VS. 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: 12578-12589. DOI: 10.1021/Acs.Jpcc.6B03158 |
0.754 |
|
2015 |
Mifflin AL, Velarde L, Ho J, Psciuk BT, Negre CF, Ebben CJ, Upshur MA, Lu Z, Strick BL, Thomson RJ, Batista VS, Wang HF, Geiger FM. Accurate line shapes from sub-1 cm(-1) resolution sum frequency generation vibrational spectroscopy of α-pinene at room temperature. The Journal of Physical Chemistry. A. 119: 1292-302. PMID 25647092 DOI: 10.1021/Jp510700Z |
0.752 |
|
2015 |
Ho J. Are thermodynamic cycles necessary for continuum solvent calculation of pKas and reduction potentials? Physical Chemistry Chemical Physics : Pccp. 17: 2859-68. PMID 25503399 DOI: 10.1039/C4Cp04538F |
0.372 |
|
2014 |
Ho J, Newcomer MB, Ragain CM, Gascon JA, Batista ER, Loria JP, Batista VS. MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-Quadruplex. Journal of Chemical Theory and Computation. 10: 5125-35. PMID 26584390 DOI: 10.1021/Ct500571K |
0.755 |
|
2014 |
Anderson P, Petit A, Ho J, Mitoraj MP, Coote ML, Danovich D, Shaik S, Braïda B, Ess DH. Protonated alcohols are examples of complete charge-shift bonds. The Journal of Organic Chemistry. 79: 9998-10001. PMID 25317657 DOI: 10.1021/Jo501549Q |
0.555 |
|
2014 |
Marenich AV, Ho J, Coote ML, Cramer CJ, Truhlar DG. Computational electrochemistry: prediction of liquid-phase reduction potentials. Physical Chemistry Chemical Physics : Pccp. 16: 15068-106. PMID 24958074 DOI: 10.1039/C4Cp01572J |
0.569 |
|
2014 |
Ho J. Predicting pKa in implicit solvents: Current status and future directions Australian Journal of Chemistry. 67: 1441-1460. DOI: 10.1071/Ch14040 |
0.376 |
|
2014 |
Ho J, Newcomer MB, Ragain CM, Gascon JA, Batista ER, Loria JP, Batista VS. MoD-QM/MM structural refinement method: Characterization of hydrogen bonding in the Oxytricha nova G-quadruplex Journal of Chemical Theory and Computation. 10: 5125-5135. DOI: 10.1021/ct500571k |
0.734 |
|
2013 |
Ho J, Zheng J, Meana-Pañeda R, Truhlar DG, Ko EJ, Savage GP, Williams CM, Coote ML, Tsanaktsidis J. Chloroform as a hydrogen atom donor in Barton reductive decarboxylation reactions. The Journal of Organic Chemistry. 78: 6677-87. PMID 23731255 DOI: 10.1021/Jo400927Y |
0.557 |
|
2013 |
Guimard NK, Ho J, Brandt J, Lin CY, Namazian M, Mueller JO, Oehlenschlaeger KK, Hilf S, Lederer A, Schmidt FG, Coote ML, Barner-Kowollik C. Harnessing entropy to direct the bonding/debonding of polymer systems based on reversible chemistry Chemical Science. 4: 2752-2759. DOI: 10.1039/C3Sc50642H |
0.748 |
|
2013 |
Pasfield LA, Cruz Ldl, Ho J, Coote ML, Otting G, McLeod MD. Synthesis of (±)-Panduratin A and Related Natural Products Using the High Pressure Diels–Alder Reaction Asian Journal of Organic Chemistry. 2: 60-63. DOI: 10.1002/Ajoc.201200171 |
0.485 |
|
2012 |
Biegasiewicz KF, Ingalsbe ML, St Denis JD, Gleason JL, Ho J, Coote ML, Savage GP, Priefer R. Evaluation of a chiral cubane-based Schiff base ligand in asymmetric catalysis reactions. Beilstein Journal of Organic Chemistry. 8: 1814-8. PMID 23209516 DOI: 10.3762/Bjoc.8.207 |
0.531 |
|
2012 |
Heinrich N, Willis AC, Cade IA, Ho J, Coote ML, Banwell MG. Reversible cyclopropane ring-cleavage reactions within etheno-bridged [4.3.1]propelladiene frameworks leading to aza- and oxa-[5.6.5.6]fenestratetraenes. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 13585-8. PMID 22987604 DOI: 10.1002/Chem.201202903 |
0.512 |
|
2012 |
Gordon D, Chen R, Ho J, Coote ML, Chung SH. Rigid body Brownian dynamics as a tool for studying ion channel blockers. The Journal of Physical Chemistry. B. 116: 1933-41. PMID 22257264 DOI: 10.1021/Jp210105F |
0.513 |
|
2012 |
Lu D, Coote ML, Ho J, Kilah NL, Lin CY, Salem G, Weir ML, Willis AC, Wild SB, Dilda PJ. Resolution and improved synthesis of (±)-Arsenicin A: A natural adamantane-type tetraarsenical possessing strong anti-acute promelocytic leukemia cell line activity Organometallics. 31: 1808-1816. DOI: 10.1021/Om201180D |
0.651 |
|
2011 |
Ho J, Coote ML, Easton CJ. 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. The Journal of Organic Chemistry. 76: 5907-14. PMID 21714508 DOI: 10.1021/Jo200994Z |
0.526 |
|
2011 |
Ho J, Coote ML, Easton CJ. The distal effect of N-electron-withdrawing groups on the stability of peptide carbon radicals Australian Journal of Chemistry. 64: 403-408. DOI: 10.1071/Ch11003 |
0.562 |
|
2011 |
Ho J, Coote ML. First‐principles prediction of acidities in the gas and solution phase Wires Computational Molecular Science. 1: 649-660. DOI: 10.1002/Wcms.43 |
0.54 |
|
2010 |
Ho J, Klamt A, Coote ML. Comment on the correct use of continuum solvent models. The Journal of Physical Chemistry. A. 114: 13442-4. PMID 21133342 DOI: 10.1021/Jp107136J |
0.524 |
|
2010 |
Ho J, Coote ML, Franco-Pérez M, Gómez-Balderas R. First-principles prediction of the pK(a)s of anti-inflammatory oxicams. The Journal of Physical Chemistry. A. 114: 11992-2003. PMID 20949907 DOI: 10.1021/Jp107890P |
0.556 |
|
2010 |
Ho J, Easton CJ, Coote ML. The distal effect of electron-withdrawing groups and hydrogen bonding on the stability of peptide enolates. Journal of the American Chemical Society. 132: 5515-21. PMID 20337444 DOI: 10.1021/Ja100996Z |
0.557 |
|
2009 |
Ho J, Coote ML. pKa Calculation of Some Biologically Important Carbon Acids - An Assessment of Contemporary Theoretical Procedures. Journal of Chemical Theory and Computation. 5: 295-306. PMID 26610106 DOI: 10.1021/Ct800335V |
0.541 |
|
2009 |
Ho J, Coote ML. A universal approach for continuum solvent pK a calculations: are we there yet? Theoretical Chemistry Accounts. 125: 3-21. DOI: 10.1007/S00214-009-0667-0 |
0.56 |
|
2006 |
Fan Y, Ho J, Bettens RP. Approximating coupled cluster level vibrational frequencies with composite methods. The Journal of Physical Chemistry. A. 110: 2796-800. PMID 16494391 DOI: 10.1021/Jp0562330 |
0.344 |
|
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