• 8044 Citations
  • 24 h-Index
1990 …2019
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Fingerprint Dive into the research topics where Tai-Sung Lee is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 4 Similar Profiles
Molecular Dynamics Simulation Medicine & Life Sciences
Catalysis Chemical Compounds
Free energy Chemical Compounds
Molecular dynamics Chemical Compounds
RNA Engineering & Materials Science
Catalytic RNA Chemical Compounds
Molecules Chemical Compounds
Mutation Medicine & Life Sciences

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Projects 1998 1998

methylation
deoxyribonucleic acid
partitions
buffers
requirements

Research Output 1990 2019

1 Citation (Scopus)

Using AMBER18 for Relative Free Energy Calculations

Song, L. F., Lee, T. S., Zhu, C., York, D. M. & Merz, K. M., Jul 22 2019, In : Journal of Chemical Information and Modeling. 59, 7, p. 3128-3135 8 p.

Research output: Contribution to journalArticle

Free energy
Sampling
energy
Thermodynamics
Polytetrafluoroethylene
21 Citations (Scopus)

GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features

Lee, T-S., Cerutti, D. S., Mermelstein, D., Lin, C., Legrand, S., Giese, T. J., Roitberg, A., Case, D., Walker, R. C. & York, D., Oct 22 2018, In : Journal of Chemical Information and Modeling. 58, 10, p. 2043-2050 8 p.

Research output: Contribution to journalArticle

Free energy
Molecular dynamics
energy
performance
Metal ions
3 Citations (Scopus)

A Multidimensional B-Spline Correction for Accurate Modeling Sugar Puckering in QM/MM Simulations

Huang, M., Dissanayake, T., Kuechler, E., Radak, B. K., Lee, T-S., Giese, T. J. & York, D., Sep 12 2017, In : Journal of Chemical Theory and Computation. 13, 9, p. 3975-3984 10 p.

Research output: Contribution to journalArticle

splines
sugars
Sugars
Splines
RNA
25 Citations (Scopus)
Program processors
affinity
drugs
modules
Ligands
14 Citations (Scopus)

A Two-Metal-Ion-Mediated Conformational Switching Pathway for HDV Ribozyme Activation

Lee, T-S., Radak, B. K., Harris, M. E. & York, D., Mar 4 2016, In : ACS Catalysis. 6, 3, p. 1853-1869 17 p.

Research output: Contribution to journalArticle

Catalytic RNA
Catalysis
Metal ions
Chemical activation
RNA