| Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes PS Hudson, JK White, FL Kearns, M Hodoscek, S Boresch, HL Woodcock Biochimica et Biophysica Acta (BBA)-General Subjects 1850 (5), 944-953, 2015 | 32 | 2015 |
| Thiamin Diphosphate Activation in 1-Deoxy-d-xylulose 5-Phosphate Synthase: Insights into the Mechanism and Underlying Intermolecular Interactions JK White, S Handa, SL Vankayala, DJ Merkler, HL Woodcock The journal of physical chemistry B 120 (37), 9922-9934, 2016 | 24 | 2016 |
| Identification and characterization of noncovalent interactions that drive binding and specificity in DD-peptidases and β-lactamases JC Hargis, SL Vankayala, JK White, HL Woodcock Journal of Chemical Theory and Computation 10 (2), 855-864, 2014 | 18 | 2014 |
| Mechanistic studies of 1-deoxy-d-xylulose-5-phosphate synthase from Deinococcus radiodurans S Handa, DR Dempsey, D Ramamoorthy, N Cook, WC Guida, ... Biochemistry & molecular biology journal 4 (1), 2018 | 11 | 2018 |
| Can molecular dynamics and QM/MM solve the penicillin binding protein protonation puzzle? JC Hargis, JK White, Y Chen, HL Woodcock Journal of chemical information and modeling 54 (5), 1412-1424, 2014 | 9 | 2014 |
| Investigations into the Non-Mevalonate Isoprenoid Biosynthesis Pathway's First Two Enzymes utilizing Hybrid QM/MM Techniques JK White University of South Florida, 2017 | | 2017 |
| Elucidating the thiamine diphosphate activation mechanism in 1-deoxy-d-xylulose 5-phosphate synthase: A hybrid QM/MM reaction path study JK White, HL Woodcock ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014 | | 2014 |
| Elucidating protonation states, intermolecular interactions, and reaction mechanisms that drive binding and specificity in DD-peptidases and beta-lactamases JC Hargis, SL Vankayala, JK White, HL Woodcock ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014 | | 2014 |
| Can peptidomimetic antibiotics overcome bacterial resistance? Elucidating molecular level binding and specificity details of DD-peptidases and beta-lactamases JC Hargis, SL Vankayala, JK White, HL Woodcock ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014 | | 2014 |
| Off-Path simulation method: A new chain-of-replica approach for sampling reaction processes JK White, M Hodoscek, HL Woodcock ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
| Can QM/MM NBO and charge perturbation analyses solve the penicillin binding protein protonation puzzle? JC Hargis, JK White, HL Woodcock ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012 | | 2012 |
| Semiconductor Lasers and Amplifiers-35-GHz Intrinsic Bandwidth for Direct Modulation in 1.3-mm Semiconductor Lasers Subject to Strong Injection Locking SK Hwang, JM Liu, JK White IEEE Photonics Technology Letters 16 (4), 972-974, 2004 | | 2004 |
H. Lee WoodcockProfessor of Chemistry, University of South FloridaVerified email at usf.edu
