Advances in exploring activity cliffs Dagmar StumpfeHuabin HuJürgen Bajorath Perspective Open access 05 May 2020 Pages: 929 - 942
Simplified activity cliff network representations with high interpretability and immediate access to SAR information Huabin HuJürgen Bajorath OriginalPaper Open access 05 June 2020 Pages: 943 - 952
Side chain virtual screening of matched molecular pairs: a PDB-wide and ChEMBL-wide analysis Matthew P. BaumgartnerDavid A. Evans OriginalPaper 12 June 2020 Pages: 953 - 963
Revisiting allostery in CREB-binding protein (CBP) using residue-based interaction energy Metin YazarPemra Ozbek OriginalPaper 19 May 2020 Pages: 965 - 974
Predictive potential of eigenvalue-based topological molecular descriptors Izudin RedžepovićBoris Furtula OriginalPaper 13 June 2020 Pages: 975 - 982
Computational exploration and experimental validation to identify a dual inhibitor of cholinesterase and amyloid-beta for the treatment of Alzheimer’s disease Manish Kumar TripathiPiyoosh SharmaSushant Kumar Shrivastava OriginalPaper 03 June 2020 Pages: 983 - 1002
Plausible compounds drawn from plants as curative agents for neurodegeneration: An in-silico approach Shalini ThiruchittampalamSamantha Weerasinghe OriginalPaper 12 June 2020 Pages: 1003 - 1011