C2PO : an ML-powered optimizer of the membrane permeability of cyclic peptides through chemical modification
Source
Journal of Cheminformatics - ISSN 1758-2946-17:1 (2025) p. 1-13
MolAgent : biomolecular property estimation in the agentic era
Source
Journal of Chemical Information and Modeling - ISSN 1549-9596-65:20 (2025) p. 10808-10818
Highly potent dipeptidyl peptidase 8/9 (DPP8/9) inhibitors designed via relative binding free energy calculations
Source
European journal of medicinal chemistry - ISSN 0223-5234-297 (2025) p. 1-12
Allosteric inhibition of trypanosomatid pyruvate kinases by a camelid single-domain antibody
Source
eLife - ISSN 2050-084X-13 (2025) p. 1-27
A beginner’s approach to deep learning applied to VS and MD techniques
Source
Journal of Cheminformatics - ISSN 1758-2946-17:1 (2025) p. 1-44