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Did you mean jai sun lee (11 results)?
AmberTools.
Case DA, Aktulga HM, Belfon K, Cerutti DS, Cisneros GA, Cruzeiro VWD, Forouzesh N, Giese TJ, Götz AW, Gohlke H, Izadi S, Kasavajhala K, Kaymak MC, King E, Kurtzman T, Lee TS, Li P, Liu J, Luchko T, Luo R, Manathunga M, Machado MR, Nguyen HM, O'Hearn KA, Onufriev AV, Pan F, Pantano S, Qi R, Rahnamoun A, Risheh A, Schott-Verdugo S, Shajan A, Swails J, Wang J, Wei H, Wu X, Wu Y, Zhang S, Zhao S, Zhu Q, Cheatham TE 3rd, Roe DR, Roitberg A, Simmerling C, York DM, Nagan MC, Merz KM Jr. Case DA, et al. Among authors: lee ts. J Chem Inf Model. 2023 Oct 23;63(20):6183-6191. doi: 10.1021/acs.jcim.3c01153. Epub 2023 Oct 8. J Chem Inf Model. 2023. PMID: 37805934 Free PMC article.
ACES: Optimized Alchemically Enhanced Sampling.
Lee TS, Tsai HC, Ganguly A, York DM. Lee TS, et al. J Chem Theory Comput. 2023 Jan 11:10.1021/acs.jctc.2c00697. doi: 10.1021/acs.jctc.2c00697. Online ahead of print. J Chem Theory Comput. 2023. PMID: 36630672
Using AMBER18 for Relative Free Energy Calculations.
Song LF, Lee TS, Zhu C, York DM, Merz KM Jr. Song LF, et al. Among authors: lee ts. J Chem Inf Model. 2019 Jul 22;59(7):3128-3135. doi: 10.1021/acs.jcim.9b00105. Epub 2019 Jun 20. J Chem Inf Model. 2019. PMID: 31244091 Free PMC article.
Validation of Free Energy Methods in AMBER.
Tsai HC, Tao Y, Lee TS, Merz KM Jr, York DM. Tsai HC, et al. Among authors: lee ts. J Chem Inf Model. 2020 Nov 23;60(11):5296-5300. doi: 10.1021/acs.jcim.0c00285. Epub 2020 Jul 6. J Chem Inf Model. 2020. PMID: 32551593 Free PMC article.
Mapping L1 ligase ribozyme conformational switch.
Giambaşu GM, Lee TS, Scott WG, York DM. Giambaşu GM, et al. Among authors: lee ts. J Mol Biol. 2012 Oct 12;423(1):106-22. doi: 10.1016/j.jmb.2012.06.035. Epub 2012 Jul 3. J Mol Biol. 2012. PMID: 22771572 Free PMC article.
Solvent structure and hammerhead ribozyme catalysis.
Martick M, Lee TS, York DM, Scott WG. Martick M, et al. Among authors: lee ts. Chem Biol. 2008 Apr;15(4):332-42. doi: 10.1016/j.chembiol.2008.03.010. Chem Biol. 2008. PMID: 18420140 Free PMC article.
45 results