| Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening L Chen, A Cruz, S Ramsey, CJ Dickson, JS Duca, V Hornak, DR Koes, ... PloS one 14 (8), e0220113, 2019 | 207 | 2019 |
| Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST S Ramsey, C Nguyen, R Salomon‐Ferrer, RC Walker, MK Gilson, ... Journal of computational chemistry 37 (21), 2029-2037, 2016 | 109 | 2016 |
| Solvation structure and thermodynamic mapping (SSTMap): an open-source, flexible package for the analysis of water in molecular dynamics trajectories K Haider, A Cruz, S Ramsey, MK Gilson, T Kurtzman Journal of chemical theory and computation 14 (1), 418-425, 2018 | 50 | 2018 |
| A novel mitragynine analog with low-efficacy mu opioid receptor agonism displays antinociception with attenuated adverse effects S Chakraborty, JF DiBerto, A Faouzi, SM Bernhard, AM Gutridge, ... Journal of medicinal chemistry 64 (18), 13873-13892, 2021 | 42 | 2021 |
| Enthalpic breakdown of water structure on protein active-site surfaces K Haider, L Wickstrom, S Ramsey, MK Gilson, T Kurtzman The Journal of Physical Chemistry B 120 (34), 8743-8756, 2016 | 40 | 2016 |
| High-resolution structures of multiple 5-HT3AR-setron complexes reveal a novel mechanism of competitive inhibition S Basak, A Kumar, S Ramsey, E Gibbs, A Kapoor, M Filizola, ... Elife 9, e57870, 2020 | 35 | 2020 |
| Mechanism of μ-opioid receptor-magnesium interaction and positive allosteric modulation X Hu, D Provasi, S Ramsey, M Filizola Biophysical journal 118 (4), 909-921, 2020 | 29 | 2020 |
| Predicted Mode of Binding to and Allosteric Modulation of the μ-Opioid Receptor by Kratom’s Alkaloids with Reported Antinociception In Vivo Y Zhou, S Ramsey, D Provasi, A El Daibani, K Appourchaux, ... Biochemistry 60 (18), 1420-1429, 2020 | 27 | 2020 |
| Water pharmacophore: designing ligands using molecular dynamics simulations with water SW Jung, M Kim, S Ramsey, T Kurtzman, AE Cho Scientific Reports 8 (1), 10400, 2018 | 27 | 2018 |
| Tetrahydroprotoberberine alkaloids with dopamine and σ receptor affinity S Gadhiya, S Madapa, T Kurtzman, IL Alberts, S Ramsey, NK Pillarsetty, ... Bioorganic & medicinal chemistry 24 (9), 2060-2071, 2016 | 21 | 2016 |
| New dopamine D3-selective receptor ligands containing a 6-Methoxy-1, 2, 3, 4-tetrahydroisoquinolin-7-ol motif S Gadhiya, P Cordone, RK Pal, E Gallicchio, L Wickstrom, T Kurtzman, ... ACS Medicinal Chemistry Letters 9 (10), 990-995, 2018 | 16 | 2018 |
| Synthesis and evaluation of C9 alkoxy analogues of (-)-stepholidine as dopamine receptor ligands S Madapa, S Gadhiya, T Kurtzman, IL Alberts, S Ramsey, M Reith, ... European journal of medicinal chemistry 125, 255-268, 2017 | 13 | 2017 |
| Inclusion of enclosed hydration effects in the binding free energy estimation of dopamine D3 receptor complexes RK Pal, S Gadhiya, S Ramsey, P Cordone, L Wickstrom, WW Harding, ... Plos one 14 (9), e0222902, 2019 | 10 | 2019 |
| Structural Insights Into Modulation of 5-HT3AR Function S Basak, K Felt, A Kumar, S Ramsey, M Filizola, S Chakrapani Biophysical Journal 120 (3), 174a, 2021 | | 2021 |
| Efficient Prediction of the Effect of Mutations on the Activation Kinetics of G Protein-Coupled Receptors Using a Maximum Caliber Approach S Ramsey, D Provasi, J Moeller, M Lohse, M Filizola Biophysical Journal 118 (3), 92a-93a, 2020 | | 2020 |
| Solvation structure and thermodynamic mapping (SSTMap): Open-source software package for the analysis of water in molecular dynamics trajectories K Haider, A Cruz, S Ramsey, M Gilson, T Kurtzman ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Solvation Thermodynamic Mapping in Computer Aided Drug Design S Ramsey | | 2019 |
| SSTMap: A computational tool creating solvation thermodynamic and structural maps from molecular dynamics trajectories S Ramsey, K Haider, A Cruz, M Gilson, T Kurtzman ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Computational methodologies for studying the binding affinities of protein-ligand complexes by combining hydration and dynamical effects RK Pal, S Ramsey, P Cordone, L Wickstrom, T Kurtzman, WW Harding, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Making a splash in implicit solvent: Application of inhomogeneous solvation theory and continuum solvation to protein-ligand affinity predictions L Wickstrom, R Pal, S Ramsey, T Kurtzman, E Gallicchio ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
