Justin K. White

Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes

Phillip S. Hudson, Justin K. White, Fiona L. Kearns et al. · Biochimica et Biophysica Acta (BBA) - General Subjects · 2014 · 37 citations · Full text

Computational Science, Engineering, Computational Biology +11

Thiamin Diphosphate Activation in 1-Deoxy-<scp>d</scp>-xylulose 5-Phosphate Synthase: Insights into the Mechanism and Underlying Intermolecular Interactions

Justin K. White, Sumit Handa, Sai Lakshmana Vankayala et al. · The Journal of Physical Chemistry B · 2016 · 31 citations · Full text

Engineering, Underlying Intermolecular Interactions, Molecular Biology +16

Mechanistic Studies of 1-Deoxy-D-Xylulose-5-Phosphate Synthase from Deinococcus radiodurans

Sumit Handa, Daniel R. Dempsey, Divya Ramamoorthy et al. · Biochemistry & Molecular Biology Journal · 2018 · 18 citations · Full text

Identification and Characterization of Noncovalent Interactions That Drive Binding and Specificity in DD-Peptidases and β-Lactamases

Jacqueline C. Hargis, Sai Lakshmana Vankayala, Justin K. White et al. · Journal of Chemical Theory and Computation · 2014 · 16 citations · Full text

Can Molecular Dynamics and QM/MM Solve the Penicillin Binding Protein Protonation Puzzle?

Jacqueline C. Hargis, Justin K. White, Yu Chen et al. · Journal of Chemical Information and Modeling · 2014 · 10 citations · Full text

Protein Assembly, Molecular Biology, Antimicrobial Chemotherapy +22