Year |
Citation |
Score |
2020 |
Basak S, Kumar A, Ramsey S, Gibbs E, Kapoor A, Filizola M, Chakrapani S. High-resolution structures of multiple 5-HTR-setron complexes reveal a novel mechanism of competitive inhibition. Elife. 9. PMID 33063666 DOI: 10.7554/eLife.57870 |
0.304 |
|
2019 |
Hu X, Provasi D, Ramsey S, Filizola M. Mechanism of μ-Opioid Receptor-Magnesium Interaction and Positive Allosteric Modulation. Biophysical Journal. PMID 31676132 DOI: 10.1016/J.Bpj.2019.10.007 |
0.301 |
|
2019 |
Pal RK, Gadhiya S, Ramsey S, Cordone P, Wickstrom L, Harding WW, Kurtzman T, Gallicchio E. Inclusion of enclosed hydration effects in the binding free energy estimation of dopamine D3 receptor complexes. Plos One. 14: e0222902. PMID 31568493 DOI: 10.1371/Journal.Pone.0222902 |
0.717 |
|
2019 |
Chen L, Cruz A, Ramsey S, Dickson CJ, Duca JS, Hornak V, Koes DR, Kurtzman T. Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening. Plos One. 14: e0220113. PMID 31430292 DOI: 10.1371/Journal.Pone.0220113 |
0.665 |
|
2018 |
Gadhiya S, Cordone P, Pal RK, Gallicchio E, Wickstrom L, Kurtzman T, Ramsey S, Harding WW. New Dopamine D3-Selective Receptor Ligands Containing a 6-Methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol Motif. Acs Medicinal Chemistry Letters. 9: 990-995. PMID 30344905 DOI: 10.1021/Acsmedchemlett.8B00229 |
0.704 |
|
2018 |
Jung SW, Kim M, Ramsey S, Kurtzman T, Cho AE. Water Pharmacophore: Designing Ligands using Molecular Dynamics Simulations with Water. Scientific Reports. 8: 10400. PMID 29991756 DOI: 10.1038/S41598-018-28546-Z |
0.696 |
|
2017 |
Haider K, Cruz A, Ramsey S, Gilson MK, Kurtzman T. Solvation Structure and Thermodynamic Mapping (SSTMap): An open-source, flexible package for the analysis of water in molecular dynamics trajectories. Journal of Chemical Theory and Computation. PMID 29161510 DOI: 10.1021/Acs.Jctc.7B00592 |
0.696 |
|
2016 |
Madapa S, Gadhiya S, Kurtzman T, Alberts IL, Ramsey S, Reith M, Harding WW. Synthesis and evaluation of C9 alkoxy analogues of (-)-stepholidine as dopamine receptor ligands. European Journal of Medicinal Chemistry. 125: 255-268. PMID 27688181 DOI: 10.1016/J.Ejmech.2016.09.036 |
0.685 |
|
2016 |
Ramsey S, Nguyen C, Salomon-Ferrer R, Walker RC, Gilson MK, Kurtzman T. Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST. Journal of Computational Chemistry. 37: 2029-37. PMID 27317094 DOI: 10.1002/Jcc.24417 |
0.676 |
|
2016 |
Haider K, Wickstrom L, Ramsey S, Gilson MK, Kurtzman T. Enthalpic Breakdown of Water Structure on Protein Active-Site Surfaces. The Journal of Physical Chemistry. B. 120: 8743-56. PMID 27169482 DOI: 10.1021/Acs.Jpcb.6B01094 |
0.685 |
|
2016 |
Gadhiya S, Madapa S, Kurtzman T, Alberts IL, Ramsey S, Pillarsetty NK, Kalidindi T, Harding WW. Tetrahydroprotoberberine alkaloids with dopamine and σ receptor affinity. Bioorganic & Medicinal Chemistry. PMID 27032890 DOI: 10.1016/J.Bmc.2016.03.037 |
0.686 |
|
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