Publications

2017

39. Deltamies and Croconamides: Expanding the Range of Dual H-bond Donors for Selective Anion Recognition.
      Zwicker, V.; Yuen, K.; Smith, D.; Ho, J.; Qin, L.; Turner, P.; Jolliffe, K. A. 

38Electron Transfer Assisted by Vibronic Coupling From Multiple Modes.
      Chaudhuri, S.; Hedstrom, S.; Mendez-Hernandez, D.; Hendrickson, H. P.; Jung, K. A.; Ho, J.; Batista, V. S.














37. Quantum Chemical Prediction of Equilibrium Acidities of Urea, Deltamides, Squaramides and Croconamides.
      Ho, J.*; Zwicker, E.; K. Yuen; Jolliffe, K. A.

 

36. Corey Chaykovsky Reactions of Nitro Styrenes Enable Cis-Configured Trifluoromethyl Cyclopropanes
     
Hock, K. J.; Mertens, L.; Ho, J.*; Nguyen, T. V.*; Koenigs, R. M.*

 

35. Triplet-triplet Energy Transfer in Artificial Photosynthetic Antennas and Light-Harvesting Proteins.
      Ho, J.; Kish, E.; Méndez-Hernández, D.; WongCarter, K.; Pillai, S.; Kodis, G.; Gust, D.; Moore, T. A.; Moore, A. L.; Batista, V. S.; Robert, B.

 

34. Probing the Remarkable Thermal Kinetics of Visual Rhodopsin with E181Q and S186A Mutants.
      Guo, Y.; Hendrickson, H. P.; Videla, P. E.; Chen, Y.-N; Ho, J.; Sekharan, S.; Batista, V. S.; Tully, J. C.; Yan, E. C. Y.

 

33. Assessment of Several Machine Learning Methods Towards Reliable Prediction of Hormone-Receptor Binding Affinity.
      Cheng, J. C.*, Zidar, J., Ho, J.*, Wang, Y., Lee, K. K., Zheng, J., Sullivan, M. B., You, X. R., Kriegel, R. A

 32. Unanticipated Stickiness of alpha-Pinene

      Chase, H. M.; Ho, J.; Upshur, A.; Thomson, R. J.; Batista, V. S.; Geiger, F. M.

 

31. NHC-Catalyzed Metathesis and Phosphorylation Reactions of Disulfides: Development and Mechanistic Insights.
      Crocker, R. D., Hussein, M., Ho, J.*, Nguyen, T. V.*

 

30. N-Heterocyclic Olefin Catalyzed Silyation and Hydrosilyation Reactions of Hydroxyl and Carbonyl Compounds.
      Kaya, U.; Tran, U. P. N.; Enders, D.; Ho, J.; Nguyen, T. V.

 

2016

29Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulations Reveal a Rotationally Fluid Adsorption State of a-Pinene on Fused Silica.
       Ho, J.; Psicuk, B. T.; Chase, H. M.; Upshur, M. A.; Rudshteyn, B.; Thomson, R. J.; Wang, H.; Geiger, F. M.; Batista, V. S.
 
28.  Calculating Free Energy Changes in Continuum Solvation Models
       Ho, J.*; Ertem, M. Z.
 
27pH Regulated Non-electrogenic Anion Transport by Phenylthiosemicarbazones.
       Howe, E. N.; Busschaert, N.; Wu, X.; Berry, S. N.; Ho, J.; Light, M. E.; Czech, D. D.; Klein, H. A.; Kitchen, J. A.; Gale, P. A. 

26The MoD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-quadruplexes.
       Askerka, M.; Ho, J.; Batista, E. R.; Gascon, J. A.; Batista, V. S.

25Peptidomimetic Stars and Dendrimers for Targeting Biological Ion Channels
       Chen, R.; Lu, D.; Xie, Z.; Feng, J.; Jia, Z.; Ho, J.; Coote, M. L.; Wu, Y.; Monteiro, M. J.; Chung, S. H. 
 
 

2015

24.  Are thermodynamic Cycles Necessary for Continuum Solvent Calculation of pKas and Reduction Potentials?
       Ho, J.*

23Accurate Line Shapes from sub cm-1 Resolution Sum Frequency Generation Vibrational Spectroscopy of a-Pinene at Room Temperature
       Mifflin, A.; Velarde, L.; Ho, J.; Psciuk, B.; Negre. C.; Ebben, C.; Upshur, M. A.; Zhou, L.; Strick, B.; Thomson, R.; Batista, V. S.; Wang, H.; Geiger, F.

22.  Theoretical Calculation of Reduction Potentials.
       Ho, J.; Coote, M. L.; Cramer, C. J; Truhlar, D. G.
 
 

2014

21The Self-Consistent MoD-QM/MM Structural Refinement Methodology: Characterization of the Oxytricha nova G-quadruplex.
       Ho, J.; Newcomer, M. B.; Ragain, C. M.; Gascon, J. A.; Batista, E. R.; Loria, P. J.; Batista, V. S.

20.  Predicting pKa in Implicit Solvents: Current Status and Future Directions.
       Ho, J.*
 
19.  Protonated Alcohols are Examples of Complete Charge-Shift Bonds.
       Anderson, P.; Petit, A.; Ho, J.; Mitoraj, M. P.; Coote, M. L.; Danovich, D.; Shaik, S.; Braida, B.; Ess, D.
 
18.   Computational Electrochemistry: Prediction of Liquid-Phase Reduction Potentials.
        Marenich, A. V.*; Ho, J.*; Coote, M. L.*; Cramer, C. J.*; Truhlar, D. G.*
        Phys. Chem. Chem. Phys. 2014, 16 15068-15106.


2013

17. Chloroform as a Hydrogen Atom Donor in Barton Reductive Decarboxylation Reactions.
      Ho, J.; Zheng, J. J.; Meana-Pañeda, R.; Truhlar, D. G.; Ko, E. J.; Savage, P. G.; Williams, C.M.; Coote, M. L.; Tsanaktsidis, J.

16. Rhenium(I) Tricarbonyl Complexes of Salicylaldehyde Semicarbazones: Synthesis, Crystal Structures and Cytotoxicity.
     Ho, J.; Lee, W. Y.; Koh, K. J.; Lee, P.F. P.; Yan, Y.-K.

15. Harnessing Entropy to Direct the Bonding/Debonding of Polymer Systems Based on Reversible Chemistry.
      Guimard, N. K.; Ho, J.; Brandt, J.; Lin, C. Y.; Namazian, M.; Mueller, J. O.; Oehlenschlaeger, K. K.; Hilf, S.; Lederer, A.; Schmidt, F. G.; Coote, M. L.; Barner- Kowollik, C.

14. Synthesis of (±)-Panduratin A and related Natural Products Using the High- Pressure Diels-Alder Reaction.
     Pasfield, L. A.; de la Cruz, L.; Ho, J.; Coote, M. L.; Otting, G.; McLeod, M. D.


2012

13. Reversible Cyclopropane Ring-Cleavage Reactions within Etheno-Bridged [5.3.1]Propelladiene Frameworks Leading to Aza- and Oxa- [5.6.5.6]Fenestratetraenes.
      Heinrich, N.; Willis, A. C.; Cade, I. A.; Ho, J.; Coote, M. L.; Banwell, M. G.

12. Evaluation of a Chiral Cubane-Based Schiff Base Ligand in Asymmetric Catalysis Reactions.
      Biegasiewicz, K. F.; Ingalsbe, M. L.; St. Denis, J. D.; Gleason, J. L; Ho, J.; Coote, M. L.; Savage, G. P.; Priefer, R.

11. Rigid Body Brownian Dynamics as a Tool for Studying Ion Channel Blockers
      Gordon, D.; Chen, R.; Ho, J.; Coote, M. L.; Chung, S. H.

10. Synthesis and Resolution of (±)-Arsenicin A: A Natural Adamantane-Type Tetraarsenical Possessing Strong Anti-Acute Promelocytic Leukemia (APL) Cell Line Activity.
      Lu, D.; Coote, M. L.; Ho, J.; Kilah, N. L.; Lin, C. Y.; Salem, G.; Weir, M. L.; Willis, A.C.; Wild, S.B.


2011

9.  First-principles Prediction of Acidities in the Gas and Solution Phase.
     Ho, J.; Coote, M. L.

8.  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
     Ho, J.; Coote, M. L.; Easton, C. J.

7. The Distal Effect of Electron-withdrawing Groups on the Stability of Peptide Carbon Radicals.
    Ho, J.; Coote, M. L.; Easton, C. J.
    Aust J. Chem. 2011, 64, 403-408. DOI: 10.1071/CH11003


2010

6.  The Distal Effect of Electron-withdrawing Groups and Hydrogen Bonding on the Stability of Peptide Enolates.
     Ho, J.; Easton, C. J.; Coote, M. L.
 
5.  Comment on the Correct Use of Continuum Solvent Models.
     Ho, J.; Klamt, A.; Coote, M. L.

4.  First-principles Prediction of the pKas of Anti-inflammatory Oxicams.
     Ho, J.; Coote, M. L.; Franco-Perez, M.; Gomez-Balderas, R.

3.  A Universal Approach for Continuum Solvent pKa Calculation: Are We There Yet?
     Ho, J.; Coote, M. L.

2009 and before

2.  pKa Calculation of Some Biologically Important Carbon Acids – an Assessment of Contemporary Theoretical Procedures.
     Ho, J.; Coote, M. L. 

1.  Approximating Coupled Cluster Vibrational Frequencies with Composite Methods.
     Fan, Y. Ho, J.; Bettens, R. P. A.