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A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity Manuel A. LlanosLucas N. AlbercaAlan Talevi OriginalPaper 10 December 2022 Pages: 75 - 90
Computational investigation of functional water molecules in GPCRs bound to G protein or arrestin Jiaqi HuXianqiang SunJianxin Cheng OriginalPaper 02 December 2022 Pages: 91 - 105
DeepCubist: Molecular Generator for Designing Peptidomimetics based on Complex three-dimensional scaffolds Kohei UmederaAtsushi YoshimoriJürgen Bajorath OriginalPaper Open access 03 December 2022 Pages: 107 - 115