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Autor:
Wang, Changhao, Nguyen, Peter H, Pham, Kevin, Huynh, Danielle, Le, Thanh-Binh Nancy, Wang, Hongli, Ren, Pengyu, Luo, Ray
Publikováno v:
Journal of computational chemistry, vol 37, iss 27
Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) methods have become widely adopted in estimating protein-ligand binding affinities due to their efficiency and high correlation with experiment. Here different computational alternatives wer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid_dedup__::57a2a8385e8ff5de04d3537183d2d7fd
https://europepmc.org/articles/PMC5018451/
https://europepmc.org/articles/PMC5018451/
Autor:
Wang C; Chemical and Materials Physics Graduate Program, Irvine, California, 92697.; Department of Molecular Biology and Biochemistry, Irvine, California, 92697.; Department of Physics and Astronomy, University of California, Irvine, California, 92697., Nguyen PH; Department of Molecular Biology and Biochemistry, Irvine, California, 92697., Pham K; Department of Molecular Biology and Biochemistry, Irvine, California, 92697., Huynh D; Department of Molecular Biology and Biochemistry, Irvine, California, 92697., Le TB; Department of Molecular Biology and Biochemistry, Irvine, California, 92697., Wang H; Department of Molecular Biology and Biochemistry, Irvine, California, 92697., Ren P; Department of Biomedical Engineering, University of Texas, Austin, Texas, 78712., Luo R; Chemical and Materials Physics Graduate Program, Irvine, California, 92697. rluo@uci.edu.; Department of Molecular Biology and Biochemistry, Irvine, California, 92697. rluo@uci.edu.; Department of Chemical Engineering and Materials Science, Irvine, California, 92697. rluo@uci.edu.; Department of Biomedical Engineering, University of California, Irvine, California, 92697. rluo@uci.edu.
Publikováno v:
Journal of computational chemistry [J Comput Chem] 2016 Oct 15; Vol. 37 (27), pp. 2436-46. Date of Electronic Publication: 2016 Aug 11.