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2
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Pocket Contrastive Learning and Conformation Fusion for Robust Structure-Conditioned 3D Molecular Generation under Receptor Conformational Variation.
(academic.oup.com)
|
Liu H
…
Wu H
Bioinformatics
2026-10-05
|
#molecular_generation
#protein structure
#docking
#deep learning
#drug design
|
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1
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Soft drugs: design principles and topical applications.
(nature.com)
|
Pirali T
…
Carzaniga L
Nature Reviews Drug Discovery
2026-09-30
|
#pharmacokinetics
#drug design
#metabolism
#toxicity
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1
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Multi-Objective-Conditioned-Return-Blocks Decision Transformer: A Novel Approach for Multi-Objective De Novo Drug Design.
(academic.oup.com)
|
Mazuz E
…
Shapira B
Bioinformatics
2026-10-01
|
#deep learning
#drug design
#molecular_generation
#multi-objective-optimization
|
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1
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Rational design of protease-resistant lipopeptides for combating antibiotic-resistant bacteria.
(linkinghub.elsevier.com)
|
Wang J
…
Shan A
Cell Chemical Biology
2026-09-30
|
#amr
#antimicrobial peptides
#drug design
#infection
#proteolysis
|
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0
|
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A design approach for bitopic kinase inhibitors.
(nature.com)
|
Stevenson JW
…
Shokat KM
Nature
2026-09-23
|
#drug design
#kinase-inhibitors
#amr
#leukemia
#selectivity
|
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0
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DesignMaster: A Multi-Conditional Diffusion Framework for Rational PROTAC Design.
(academic.oup.com)
|
Shi B
…
Li F
Bioinformatics
2026-09-24
|
#protein degradation
#drug design
#generative_models
#molecular_generation
#computational chemistry
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0
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AIDrugDesigner: a web server for drug-like molecules generation and optimization.
(academic.oup.com)
|
Zhu H
…
Li M
Bioinformatics
2026-09-21
|
#deep learning
#drug design
#cheminformatics
#molecular_generation
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0
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Cell type-selective targeting by heterobifunctional protein binders via in-cell enrichment.
(nature.com)
|
Bulldan A
…
Hausch F
Nature Communications
2026-09-17
|
#protein design
#drug design
#proteomics
#therapeutics
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0
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Cryo-EM structures of Candida albicans chitin synthase Chs1 reveal a druggable translocation channel.
(nature.com)
|
Ren Z
…
Lee SY
Nature Microbiology
2026-09-15
|
#cryo-em
#candidiasis
#chitin
#antifungal
#drug design
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