Year |
Citation |
Score |
2019 |
Nguyen C, Yamazaki T, Kovalenko A, Case DA, Gilson MK, Kurtzman T, Luchko T. A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site. Plos One. 14: e0219473. PMID 31291328 DOI: 10.1371/Journal.Pone.0219473 |
0.58 |
|
2017 |
Balius TE, Fischer M, Stein RM, Adler TB, Nguyen CN, Cruz A, Gilson MK, Kurtzman T, Shoichet BK. Testing inhomogeneous solvation theory in structure-based ligand discovery. Proceedings of the National Academy of Sciences of the United States of America. PMID 28760952 DOI: 10.1073/Pnas.1703287114 |
0.587 |
|
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 |
0.57 |
|
2016 |
Nguyen CN, Kurtzman T, Gilson MK. Spatial Decomposition of Translational Water-Water Correlation Entropy in Binding Pockets. Journal of Chemical Theory and Computation. 12: 414-29. PMID 26636620 DOI: 10.1021/Acs.Jctc.5B00939 |
0.605 |
|
2016 |
Wickstrom L, Deng N, He P, Mentes A, Nguyen C, Gilson MK, Kurtzman T, Gallicchio E, Levy RM. Parameterization of an effective potential for protein-ligand binding from host-guest affinity data. Journal of Molecular Recognition : Jmr. 29: 10-21. PMID 26256816 DOI: 10.1002/Jmr.2489 |
0.557 |
|
2015 |
Wickstrom L, Deng N, He P, Mentes A, Nguyen C, Gilson MK, Kurtzman T, Gallicchio E, Levy RM. Parameterization of an effective potential for protein-ligand binding from host-guest affinity data Journal of Molecular Recognition. DOI: 10.1002/jmr.2489 |
0.482 |
|
2014 |
Nguyen CN, Cruz A, Gilson MK, Kurtzman T. Thermodynamics of Water in an Enzyme Active Site: Grid-Based Hydration Analysis of Coagulation Factor Xa. Journal of Chemical Theory and Computation. 10: 2769-2780. PMID 25018673 DOI: 10.1021/Ct401110X |
0.602 |
|
2014 |
Nguyen CN, Cruz A, Gilson MK, Kurtzman T. Thermodynamics of water in an enzyme active site: Grid-based hydration analysis of coagulation factor xa Journal of Chemical Theory and Computation. 10: 2769-2780. DOI: 10.1021/ct401110x |
0.511 |
|
2012 |
Nguyen CN, Young TK, Gilson MK. Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril. The Journal of Chemical Physics. 137: 044101. PMID 22852591 DOI: 10.1063/1.4733951 |
0.639 |
|
2012 |
Nguyen CN, Isaacson JI, Shimmyo KB, Chen A, Stratt RM. How dominant is the most efficient pathway through the potential energy landscape of a slowly diffusing disordered system? The Journal of Chemical Physics. 136: 184504. PMID 22583297 DOI: 10.1063/1.4717460 |
0.536 |
|
2012 |
Nguyen CN, Young TK, Gilson MK. Erratum: “Grid inhomogeneous solvation theory: Hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril” [J. Chem. Phys. 137, 044101 (2012)] The Journal of Chemical Physics. 137: 149901. DOI: 10.1063/1.4751113 |
0.5 |
|
2010 |
Nguyen CN, Stratt RM. Preferential solvation dynamics in liquids: how geodesic pathways through the potential energy landscape reveal mechanistic details about solute relaxation in liquids. The Journal of Chemical Physics. 133: 124503. PMID 20886946 DOI: 10.1063/1.3481655 |
0.559 |
|
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