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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: qi 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.
An efficient second-order poisson-boltzmann method.
Wei H, Luo R, Qi R. Wei H, et al. Among authors: qi 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.
Recent Developments and Applications of the MMPBSA Method.
Wang C, Greene D, Xiao L, Qi R, Luo R. Wang C, et al. Among authors: qi 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.
Improved Poisson-Boltzmann Methods for High-Performance Computing.
Wei H, Luo A, Qiu T, Luo R, Qi R. Wei H, et al. Among authors: qi r. J Chem Theory Comput. 2019 Nov 12;15(11):6190-6202. doi: 10.1021/acs.jctc.9b00602. Epub 2019 Sep 30. J Chem Theory Comput. 2019. PMID: 31525962 Free PMC article.
1,595 results