How medicinal chemists learned about log P Yvonne Connolly Martin Perspective 17 July 2018 Pages: 809 - 819
Demystifying the pH dependent conformational changes of human heparanase pertaining to structure–function relationships: an in silico approach Hemavathy NagarajanUmashankar Vetrivel OriginalPaper 06 July 2018 Pages: 821 - 840
Conformational ensemble comparison for small molecules in drug discovery Matthew Habgood OriginalPaper 09 July 2018 Pages: 841 - 852
Generating conformational transition paths with low potential-energy barriers for proteins Minh Khoa NguyenLéonard JailletStéphane Redon OriginalPaper 01 August 2018 Pages: 853 - 867
HTMoL: full-stack solution for remote access, visualization, and analysis of molecular dynamics trajectory data Mauricio Carrillo-TrippLeonardo Alvarez-RiveraAmilcar Meneses-Viveros OriginalPaper 06 August 2018 Pages: 869 - 876