1. Design and tests of prospective property predictions for novel antimalarial 2-aminopropylaminoquinolones

   • Robert D. Clark
   • Denise N. Morris
   • Walter S. Woltosz

   OriginalPaper Open access 24 August 2020 Pages: 1117 - 1132

   

2. Benchmarking the performance of MM/PBSA in virtual screening enrichment using the GPCR-Bench dataset

   • Mei Qian Yau
   • Abigail L. Emtage
   • Jason S. E. Loo

   OriginalPaper 27 August 2020 Pages: 1133 - 1145

   

3. Monomer structure fingerprints: an extension of the monomer composition version for peptide databases

   • Ammar Abdo
   • Eissa Ghaleb
   • Maude Pupin

   OriginalPaper 19 August 2020 Pages: 1147 - 1156

   

4. Phenylalkylamines in calcium channels: computational analysis of experimental structures

   • Denis B. Tikhonov
   • Lianyun Lin
   • Boris S. Zhorov

   OriginalPaper 10 July 2020 Pages: 1157 - 1169

   

5. Modeling Epac1 interactions with the allosteric inhibitor AM-001 by co-solvent molecular dynamics

   • Marianna Bufano
   • Marion Laudette
   • Antonio Coluccia

   OriginalPaper Open access 22 July 2020 Pages: 1171 - 1179

   

6. Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamics

   • Silvia Atanasio
   • Giuseppe Deganutti
   • Christopher A. Reynolds

   OriginalPaper 27 August 2020 Pages: 1181 - 1193

   

7. Prediction of ligand binding mode among multiple cross-docking poses by molecular dynamics simulations

   • Kai Liu
   • Hironori Kokubo

   OriginalPaper 01 September 2020 Pages: 1195 - 1205