Thomas J. Paul

Automated, Accurate, and Scalable Relative Protein–Ligand Binding Free-Energy Calculations Using Lambda Dynamics

E. Prabhu Raman, Thomas J. Paul, Ryan L. Hayes et al. · Journal of Chemical Theory and Computation · 2020 · 73 citations · Full text

Engineering, Molecular Biology, Computational Chemistry +18

Heteromeric three-stranded coiled coils designed using a Pb(ii)(Cys)3 template mediated strategy

Audrey E. Tolbert, Catherine S. Ervin, Leela Ruckthong et al. · Nature Chemistry · 2020 · 48 citations · Full text

Biophysics, Molecular Biology, Coiled-coil Drug Delivery

Structural and Mechanical Properties of Amyloid Beta Fibrils: A Combined Experimental and Theoretical Approach

Thomas J. Paul, Zachary Hoffmann, Congzhou Wang et al. · The Journal of Physical Chemistry Letters · 2016 · 38 citations · Full text

Engineering, Biomimetic Materials, Biomedical Engineering +23

Investigating Polyoxometalate–Protein Interactions at Chemically Distinct Binding Sites

Thomas J. Paul, Tatjana N. Parac‐Vogt, David Quiñonero et al. · The Journal of Physical Chemistry B · 2018 · 36 citations · Full text

Hybrid peptide ATCUN-sh-Buforin: Influence of the ATCUN charge and stereochemistry on antimicrobial activity

M. Daben J. Libardo, Thomas J. Paul, Rajeev Prabhakar et al. · Biochimie · 2015 · 35 citations

Biochemistry, Medicine, Atcun Charge +9