| X-ray crystallographic and EPR spectroscopic analysis of HydG, a maturase in [FeFe]-hydrogenase H-cluster assembly P Dinis, DLM Suess, SJ Fox, JE Harmer, RC Driesener, L De La Paz, ... Proceedings of the National Academy of Sciences 112 (5), 1362-1367, 2015 | 115 | 2015 |
| Structures of lipoyl synthase reveal a compact active site for controlling sequential sulfur insertion reactions JE Harmer, MJ Hiscox, PC Dinis, SJ Fox, A Iliopoulos, JE Hussey, ... Biochemical Journal 464 (1), 123-133, 2014 | 82 | 2014 |
| Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules SJ Fox, C Pittock, T Fox, CS Tautermann, N Malcolm, CK Skylaris The Journal of chemical physics 135 (22), 2011 | 77 | 2011 |
| Computational methods and tools in antimicrobial peptide research PGA Aronica, LM Reid, N Desai, J Li, SJ Fox, S Yadahalli, JW Essex, ... Journal of Chemical Information and Modeling 61 (7), 3172-3196, 2021 | 61 | 2021 |
| Large‐scale DFT calculations in implicit solvent—A case study on the T4 lysozyme L99A/M102Q protein J Dziedzic, SJ Fox, T Fox, CS Tautermann, CK Skylaris International Journal of Quantum Chemistry 113 (6), 771-785, 2013 | 58 | 2013 |
| Antimicrobial activity and cell selectivity of synthetic and biosynthetic cationic polymers M Venkatesh, VA Barathi, ETL Goh, R Anggara, MHUT Fazil, AJY Ng, ... Antimicrobial agents and chemotherapy 61 (10), 10.1128/aac. 00469-17, 2017 | 57 | 2017 |
| Free energies of binding from large-scale first-principles quantum mechanical calculations: application to ligand hydration energies SJ Fox, C Pittock, CS Tautermann, T Fox, C Christ, NOJ Malcolm, ... The Journal of Physical Chemistry B 117 (32), 9478-9485, 2013 | 55 | 2013 |
| Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site SJ Fox, J Dziedzic, T Fox, CS Tautermann, CK Skylaris Proteins: Structure, Function, and Bioinformatics 82 (12), 3335-3346, 2014 | 52 | 2014 |
| Insight into membrane selectivity of linear and branched polyethylenimines and their potential as biocides for advanced wound dressings SJ Fox, MHUT Fazil, C Dhand, M Venkatesh, ETL Goh, S Harini, ... Acta biomaterialia 37, 155-164, 2016 | 42 | 2016 |
| A Computational Study of Vicinal Fluorination in 2, 3‐Difluorobutane: Implications for Conformational Control in Alkane Chains SJ Fox, S Gourdain, A Coulthurst, C Fox, I Kuprov, JW Essex, CK Skylaris, ... Chemistry–A European Journal 21 (4), 1682-1691, 2015 | 26 | 2015 |
| First principles-based calculations of free energy of binding: application to ligand binding in a self-assembling superstructure S Fox, HG Wallnoefer, T Fox, CS Tautermann, CK Skylaris Journal of Chemical Theory and Computation 7 (4), 1102-1108, 2011 | 26 | 2011 |
| The multifaceted roles of molecular dynamics simulations in drug discovery S John Fox, J Li, YS Tan, M N Nguyen, A Pal, Z Ouaray, S Yadahalli, ... Current pharmaceutical design 22 (23), 3585-3600, 2016 | 17 | 2016 |
| Large scale ab initio modeling of structurally uncharacterized antimicrobial peptides reveals known and novel folds M Kozic, SJ Fox, JM Thomas, CS Verma, DJ Rigden Proteins: Structure, Function, and Bioinformatics 86 (5), 548-565, 2018 | 16 | 2018 |
| Conformational transitions of melittin between aqueous and lipid phases: comparison of simulations with experiments SJ Fox, R Lakshminarayanan, RW Beuerman, J Li, CS Verma The Journal of Physical Chemistry B 122 (37), 8698-8705, 2018 | 11 | 2018 |
| Comparison of charge derivation methods applied to amino acid parameterization PGA Aronica, SJ Fox, CS Verma ACS omega 3 (4), 4664-4673, 2018 | 9 | 2018 |
| Exploring Gatekeeper Mutations in EGFR through Computer Simulations S Kannan, SJ Fox, CS Verma Journal of chemical information and modeling 59 (6), 2850-2858, 2019 | 8 | 2019 |
| Quantum scale biomimicry of low dimensional growth: An unusual complex amorphous precursor route to TiO2 band confinement by shape adaptive biopolymer … D Choi, S Sonkaria, SJ Fox, S Poudel, S Kim, S Kang, S Kim, C Verma, ... Scientific Reports 9 (1), 18721, 2019 | 7 | 2019 |
| Characterization of hydration properties in structural ensembles of biomolecules MR Pradhan, MN Nguyen, S Kannan, SJ Fox, CK Kwoh, DP Lane, ... Journal of Chemical Information and Modeling 59 (7), 3316-3329, 2019 | 6 | 2019 |
| Probing the dynamics of disorder SJ Fox, S Kannan Progress in Biophysics and Molecular Biology 128, 57-62, 2017 | 3 | 2017 |
| Bacterial membranes are more perturbed by the asymmetric versus symmetric loading of amphiphilic molecules WF Drew Bennett, SJ Fox, D Sun, CM Maupin Membranes 12 (4), 350, 2022 | 2 | 2022 |
