Shuai Liu, Yujie Wu, Teng Lin, Robert Abel, Jonathan P. Redmann, Christopher M. Summa, Vivian R. Jaber, Nathan M. Lim, David L. Mobley. Lead optimization mapper: automating free energy calculations for lead optimization. Journal of Computer-Aided Molecular Design, 27(9):755-770, 2013. [doi]
Abstract is missing.