| Accelerating membrane simulations with hydrogen mass repartitioning C Balusek, H Hwang, CH Lau, K Lundquist, A Hazel, A Pavlova, DL Lynch, ... Journal of chemical theory and computation 15 (8), 4673-4686, 2019 | 99 | 2019 |
| Thermodynamics of deca-alanine folding in water A Hazel, C Chipot, JC Gumbart Journal of chemical theory and computation 10 (7), 2836-2844, 2014 | 51 | 2014 |
| Transmembrane but not soluble helices fold inside the ribosome tunnel M Bañó-Polo, C Baeza-Delgado, S Tamborero, A Hazel, B Grau, ... Nature communications 9 (1), 5246, 2018 | 46 | 2018 |
| Identification of binding sites for efflux pump inhibitors of the AcrAB-TolC component AcrA ZM Darzynkiewicz, AT Green, N Abdali, A Hazel, RL Fulton, J Kimball, ... Biophysical journal 116 (4), 648-658, 2019 | 32 | 2019 |
| Folding free energy landscapes of β-sheets with non-polarizable and polarizable CHARMM force fields AJ Hazel, ET Walters, CN Rowley, JC Gumbart The Journal of chemical physics 149 (7), 2018 | 32 | 2018 |
| Conformational dynamics of AcrA govern multidrug efflux pump assembly AJ Hazel, N Abdali, IV Leus, JM Parks, JC Smith, HI Zgurskaya, ... ACS infectious diseases 5 (11), 1926-1935, 2019 | 30 | 2019 |
| Structure and misfolding of the flexible tripartite coiled-coil domain of glaucoma-associated myocilin SE Hill, E Nguyen, RK Donegan, AC Patterson-Orazem, A Hazel, ... Structure 25 (11), 1697-1707. e5, 2017 | 27 | 2017 |
| Computed free energies of peptide insertion into bilayers are independent of computational method JC Gumbart, MB Ulmschneider, A Hazel, SH White, JP Ulmschneider The Journal of membrane biology 251, 345-356, 2018 | 26 | 2018 |
| Rapid and accurate estimation of protein–ligand relative binding affinities using site-identification by ligand competitive saturation H Goel, A Hazel, VD Ustach, S Jo, W Yu, AD MacKerell Chemical Science 12 (25), 8844-8858, 2021 | 25 | 2021 |
| Lpp positions peptidoglycan at the AcrA-TolC interface in the AcrAB-TolC multidrug efflux pump JC Gumbart, JL Ferreira, H Hwang, AJ Hazel, CJ Cooper, JM Parks, ... Biophysical Journal 120 (18), 3973-3982, 2021 | 16 | 2021 |
| Redox-driven conformational dynamics in a photosystem-II-inspired β-hairpin maquette determined through spectroscopy and simulation H Hwang, TG McCaslin, A Hazel, CV Pagba, CM Nevin, A Pavlova, ... The Journal of Physical Chemistry B 121 (15), 3536-3545, 2017 | 15 | 2017 |
| Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations SE Hill, MS Kwon, MD Martin, A Suntharalingam, A Hazel, CA Dickey, ... Journal of Biological Chemistry 294 (34), 12717-12728, 2019 | 12 | 2019 |
| Application of site-identification by ligand competitive saturation in computer-aided drug design H Goel, A Hazel, W Yu, S Jo, AD MacKerell New Journal of Chemistry 46 (3), 919-932, 2022 | 11 | 2022 |
| SILCS-RNA: Toward a structure-based drug design approach for targeting RNAs with small molecules AA Kognole, A Hazel, AD MacKerell Jr Journal of chemical theory and computation 18 (9), 5672-5691, 2022 | 7 | 2022 |
| A Minimal Membrane Metal Transport System: Dynamics and Energetics of mer Proteins H Hwang, A Hazel, P Lian, JC Smith, JC Gumbart, JM Parks Journal of computational chemistry 41 (6), 528-537, 2020 | 6 | 2020 |
| GPU‐specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations M Zhao, AA Kognole, S Jo, A Tao, A Hazel, AD MacKerell Jr Journal of Computational Chemistry 44 (20), 1719-1732, 2023 | 4 | 2023 |
| Methods for calculating potentials of mean force A Hazel, JC Gumbart School of Physics, Georgia Institute of Technology 2, 12789-12795, 2017 | 3 | 2017 |
| Uncovering the folding mechanism of pertactin: A comparative study of isolated and vectorial folding YT Pang, AJ Hazel, JC Gumbart Biophysical Journal 122 (14), 2988-2995, 2023 | 2 | 2023 |
| On the validity of hydrogen mass repartitioning for CHARMM36 membrane systems in NAMD JC Gumbart, C Balusek, H Hwang, CH Lau, K Lundquist, A Hazel, ... Biophysical Journal 116 (3), 141a, 2019 | 1 | 2019 |
| Diverse Protein-Folding Pathways and Functions of β-Hairpins and β-Sheets C Balusek, H Hwang, A Hazel, K Lundquist, A Pavlova, JC Gumbart Quantitative Models for Microscopic to Macroscopic Biological Macromolecules …, 2018 | 1 | 2018 |
