MM/GBSA prediction of relative binding affinities of carbonic anhydrase inhibitors: effect of atomic charges and comparison with Autodock4Zn Mackenzie TaylorJunming Ho OriginalPaper Open access 17 March 2023 Pages: 167 - 182
Improvement of multi-task learning by data enrichment: application for drug discovery Ekaterina A. SosninaSergey SosninMaxim V. Fedorov OriginalPaper 21 March 2023 Pages: 183 - 200
Structural mechanism of Fab domain dissociation as a measure of interface stability Nancy D. PomariciFranz WaiblKlaus R. Liedl OriginalPaper Open access 15 March 2023 Pages: 201 - 215
Efficient screening of protein-ligand complexes in lipid bilayers using LoCoMock score Rikuri MoritaYasuteru ShigetaRyuhei Harada OriginalPaper 21 March 2023 Pages: 217 - 225