1. Encoding mu-opioid receptor biased agonism with interaction fingerprints

   • R. Bruno Hernández-Alvarado
   • Abraham Madariaga-Mazón
   • Karina Martinez-Mayorga

   OriginalPaper 29 October 2021 Pages: 1081 - 1093

   

2. Using diverse potentials and scoring functions for the development of improved machine-learned models for protein–ligand affinity and docking pose prediction

   • Omar N. A. Demerdash

   OriginalPaper 28 October 2021 Pages: 1095 - 1123

   

3. Imputation of sensory properties using deep learning

   • Samar Mahmoud
   • Benedict Irwin
   • Matthew Segall

   OriginalPaper 30 October 2021 Pages: 1125 - 1140

   

4. Automated high throughput pK_a and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge

   • Matthew N. Bahr
   • Aakankschit Nandkeolyar
   • David L. Mobley

   OriginalPaper 29 October 2021 Pages: 1141 - 1155