Year |
Citation |
Score |
2017 |
Huang M, Dissanayake T, Kuechler E, Radak BK, Lee TS, Giese TJ, York DM. A Multi-dimensional B-spline Method for Accurate Modeling Sugar Puckering in QM/MM Simulations. Journal of Chemical Theory and Computation. PMID 28768099 DOI: 10.1021/Acs.Jctc.7B00161 |
0.769 |
|
2015 |
Radak BK, Romanus M, Lee TS, Chen H, Huang M, Treikalis A, Balasubramanian V, Jha S, York DM. Characterization of the Three-Dimensional Free Energy Manifold for the Uracil Ribonucleoside from Asynchronous Replica Exchange Simulations. Journal of Chemical Theory and Computation. 11: 373-377. PMID 26580900 DOI: 10.1021/Ct500776J |
0.724 |
|
2015 |
Huang M, Giese TJ, York DM. Nucleic acid reactivity: Challenges for next-generation semiempirical quantum models. Journal of Computational Chemistry. 36: 1370-89. PMID 25943338 DOI: 10.1002/Jcc.23933 |
0.757 |
|
2015 |
Radak BK, Romanus M, Lee TS, Chen H, Huang M, Treikalis A, Balasubramanian V, Jha S, York DM. Characterization of the three-dimensional free energy manifold for the uracil ribonucleoside from asynchronous replica exchange simulations Journal of Chemical Theory and Computation. 11: 373-377. DOI: 10.1021/ct500776j |
0.533 |
|
2014 |
Chen H, Giese TJ, Huang M, Wong KY, Harris ME, York DM. Mechanistic insights into RNA transphosphorylation from kinetic isotope effects and linear free energy relationships of model reactions. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 14336-43. PMID 25223953 DOI: 10.1002/Chem.201403862 |
0.728 |
|
2014 |
Huang M, York DM. Linear free energy relationships in RNA transesterification: theoretical models to aid experimental interpretations. Physical Chemistry Chemical Physics : Pccp. 16: 15846-55. PMID 24961771 DOI: 10.1039/C4Cp01050G |
0.625 |
|
2014 |
Giese TJ, Huang M, Chen H, York DM. Recent advances toward a general purpose linear-scaling quantum force field. Accounts of Chemical Research. 47: 2812-20. PMID 24937206 DOI: 10.1021/Ar500103G |
0.761 |
|
2014 |
Huang M, Giese TJ, Lee TS, York DM. Improvement of DNA and RNA Sugar Pucker Profiles from Semiempirical Quantum Methods. Journal of Chemical Theory and Computation. 10: 1538-1545. PMID 24803866 DOI: 10.1021/Ct401013S |
0.754 |
|
2014 |
Giese TJ, Chen H, Huang M, York DM. Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions. Journal of Chemical Theory and Computation. 10: 1086-1098. PMID 24803856 DOI: 10.1021/Ct401035T |
0.753 |
|
2014 |
Lee TS, Radak BK, Huang M, Wong KY, York DM. Roadmaps through free energy landscapes calculated using the multi-dimensional vFEP approach. Journal of Chemical Theory and Computation. 10: 24-34. PMID 24505217 DOI: 10.1021/Ct400691F |
0.7 |
|
2013 |
Giese TJ, Chen H, Dissanayake T, Giamba?u GM, Heldenbrand H, Huang M, Kuechler ER, Lee TS, Panteva MT, Radak BK, York DM. A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields. Journal of Chemical Theory and Computation. 9: 1417-1427. PMID 23814506 DOI: 10.1021/Ct3010134 |
0.754 |
|
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