1. How medicinal chemists learned about log P

   • Yvonne Connolly Martin

   Perspective 17 July 2018 Pages: 809 - 819

   

2. Demystifying the pH dependent conformational changes of human heparanase pertaining to structure–function relationships: an in silico approach

   • Hemavathy Nagarajan
   • Umashankar Vetrivel

   OriginalPaper 06 July 2018 Pages: 821 - 840

   

3. Conformational ensemble comparison for small molecules in drug discovery

   • Matthew Habgood

   OriginalPaper 09 July 2018 Pages: 841 - 852

   

4. Generating conformational transition paths with low potential-energy barriers for proteins

   • Minh Khoa Nguyen
   • Léonard Jaillet
   • Stéphane Redon

   OriginalPaper 01 August 2018 Pages: 853 - 867

   

5. HTMoL: full-stack solution for remote access, visualization, and analysis of molecular dynamics trajectory data

   • Mauricio Carrillo-Tripp
   • Leonardo Alvarez-Rivera
   • Amilcar Meneses-Viveros

   OriginalPaper 06 August 2018 Pages: 869 - 876