Tai-Sung Lee

Molecular Biology · 2000–2023

A researcher in the Science corpus: 6 papers; trusts 1 researcher and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 99 citations into it
• Atomic and Molecular Physics, and Optics — 41 citations into it

Whom Tai-Sung Lee trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. G. Vriend
2. Robert Abel
3. Romelia Salomón-Ferrer
4. Andreas W. Götz
5. David L. Mobley
6. W. L. Jorgensen

Who trusts Tai-Sung Lee overall

1. Xibing He

Papers from Tai-Sung Lee's perspective

Ordered by how strongly the researchers Tai-Sung Lee trusts endorse each paper. Same corpus, a different order for every researcher.

1. Automatic atom type and bond type perception in molecular mechanical calculations. (Journal of Molecular Graphics and Modelling)
2. Free energy calculations : theory and applications in chemistry and biology
3. Parallel tempering: theory, applications, and new perspectives. (Physical Chemistry, Chemical Physics - PCCP)
4. WHAT IF: a molecular modeling and drug design program.
5. Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: II. Parameterization and validation (Journal of Computational Chemistry)
6. Extension of the CHARMM General Force Field to Sulfonyl-Containing Compounds and Its Utility in Biomolecular Simulations (Journal of Computational Chemistry)
7. GPU-accelerated molecular dynamics and free energy methods in Amber18: performance enhancements and new features (Journal of Chemical Information and Modeling)
8. FreeSolv: A database of experimental and calculated hydration free energies, with input files
9. Automatic differentiation in PyTorch
10. Dispersion-Corrected Mean-Field Electronic Structure Methods. (Chemical Reviews)

Their papers

• A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations (2003) — 4,215 citations
• Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. (2000) — 4,533 citations
• GPU-accelerated molecular dynamics and free energy methods in Amber18: performance enhancements and new features (2018) — 423 citations
• AmberTools (2023) — 1,578 citations
• Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery (2020) — 312 citations
• A fast and high-quality charge model for the next generation general AMBER force field. (2020) — 665 citations