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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: luo r. 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.
The Amber biomolecular simulation programs.
Case DA, Cheatham TE 3rd, Darden T, Gohlke H, Luo R, Merz KM Jr, Onufriev A, Simmerling C, Wang B, Woods RJ. Case DA, et al. Among authors: luo r. J Comput Chem. 2005 Dec;26(16):1668-88. doi: 10.1002/jcc.20290. J Comput Chem. 2005. PMID: 16200636 Free PMC article.
A Continuum Poisson-Boltzmann Model for Membrane Channel Proteins.
Xiao L, Diao J, Greene D, Wang J, Luo R. Xiao L, et al. Among authors: luo r. J Chem Theory Comput. 2017 Jul 11;13(7):3398-3412. doi: 10.1021/acs.jctc.7b00382. Epub 2017 Jun 14. J Chem Theory Comput. 2017. PMID: 28564540 Free PMC article.
Recent Developments and Applications of the MMPBSA Method.
Wang C, Greene D, Xiao L, Qi R, Luo R. Wang C, et al. Among authors: luo r. Front Mol Biosci. 2018 Jan 10;4:87. doi: 10.3389/fmolb.2017.00087. eCollection 2017. Front Mol Biosci. 2018. PMID: 29367919 Free PMC article. Review.
An efficient second-order poisson-boltzmann method.
Wei H, Luo R, Qi R. Wei H, et al. Among authors: luo r. J Comput Chem. 2019 May 5;40(12):1257-1269. doi: 10.1002/jcc.25783. Epub 2019 Feb 18. J Comput Chem. 2019. PMID: 30776135 Free PMC article.
3,599 results