Exploring aromatic cage flexibility of the histone methyllysine reader protein Spindlin1 and its impact on binding mode prediction: an in silico study Chiara LuiseDina RobaaWolfgang Sippl OriginalPaper Open access 03 June 2021 Pages: 695 - 706
Insight into the sequence-specific elements leading to increased DNA bending and ligase-mediated circularization propensity by antitumor trabectedin Alberto MillsFederico Gago OriginalPaper 09 June 2021 Pages: 707 - 719
Binding free energy predictions in host-guest systems using Autodock4. A retrospective analysis on SAMPL6, SAMPL7 and SAMPL8 challenges Lorenzo CasbarraPiero Procacci OriginalPaper Open access 24 May 2021 Pages: 721 - 729
Improving virtual screening results with MM/GBSA and MM/PBSA rescoring Harutyun Sahakyan OriginalPaper 13 May 2021 Pages: 731 - 736
CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities Jean-Rémy MarchandBernard PirardFinton Sirockin OriginalPaper 29 May 2021 Pages: 737 - 750
Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational study Mariangela AgamennoneLoriano StorchiRoberto Paciotti OriginalPaper Open access 10 June 2021 Pages: 751 - 770