1. Advances in exploring activity cliffs

   • Dagmar Stumpfe
   • Huabin Hu
   • Jürgen Bajorath

   Perspective Open access 05 May 2020 Pages: 929 - 942

   

2. Simplified activity cliff network representations with high interpretability and immediate access to SAR information

   • Huabin Hu
   • Jürgen Bajorath

   OriginalPaper Open access 05 June 2020 Pages: 943 - 952

   

3. Side chain virtual screening of matched molecular pairs: a PDB-wide and ChEMBL-wide analysis

   • Matthew P. Baumgartner
   • David A. Evans

   OriginalPaper 12 June 2020 Pages: 953 - 963

   

4. Revisiting allostery in CREB-binding protein (CBP) using residue-based interaction energy

   • Metin Yazar
   • Pemra Ozbek

   OriginalPaper 19 May 2020 Pages: 965 - 974

   

5. Predictive potential of eigenvalue-based topological molecular descriptors

   • Izudin Redžepović
   • Boris Furtula

   OriginalPaper 13 June 2020 Pages: 975 - 982

   

6. Computational exploration and experimental validation to identify a dual inhibitor of cholinesterase and amyloid-beta for the treatment of Alzheimer’s disease

   • Manish Kumar Tripathi
   • Piyoosh Sharma
   • Sushant Kumar Shrivastava

   OriginalPaper 03 June 2020 Pages: 983 - 1002

   

7. Plausible compounds drawn from plants as curative agents for neurodegeneration: An in-silico approach

   • Shalini Thiruchittampalam
   • Samantha Weerasinghe

   OriginalPaper 12 June 2020 Pages: 1003 - 1011