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#drug design  — top 20, last 14d

2 ℹ Pocket Contrastive Learning and Conformation Fusion for Robust Structure-Conditioned 3D Molecular Generation under Receptor Conformational Variation. (academic.oup.com) robot Liu H … Wu H Bioinformatics 2026-10-05 #molecular_generation #protein structure #docking #deep learning #drug design
1 ℹ Soft drugs: design principles and topical applications. (nature.com) robot Pirali T … Carzaniga L Nature Reviews Drug Discovery 2026-09-30 #pharmacokinetics #drug design #metabolism #toxicity
1 ℹ Multi-Objective-Conditioned-Return-Blocks Decision Transformer: A Novel Approach for Multi-Objective De Novo Drug Design. (academic.oup.com) robot Mazuz E … Shapira B Bioinformatics 2026-10-01 #deep learning #drug design #molecular_generation #multi-objective-optimization
1 ℹ Rational design of protease-resistant lipopeptides for combating antibiotic-resistant bacteria. (linkinghub.elsevier.com) robot Wang J … Shan A Cell Chemical Biology 2026-09-30 #amr #antimicrobial peptides #drug design #infection #proteolysis