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0
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DrugDL: Dual-modal deep learning framework for multi-property drug prediction and targeted therapy discovery.
(academic.oup.com)
|
Zhang Q
…
Yu DJ
Bioinformatics
2026-06-15
|
#protein-protein interaction
#drug discovery
#machine learning
#molecular modeling
#toxicity
|
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0
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Discovery and characterization of a hydroxypyridone-3-carboxamide analog as an antiviral lead against orthopoxviruses.
(journals.asm.org)
|
Pant A
…
Yang Z
Antimicrobial Agents and Chemotherapy
2026-06-18
|
#antiviral
#drug discovery
#orthopoxviruses
#screening
#pharmacokinetics
|
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0
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Covalent PPARgamma inverse agonism by FX-909 reveals mechanistic insights into therapeutic targeting of PPARgamma/RXRalpha-activated urothelial carcinoma.
(linkinghub.elsevier.com)
|
Stuckey JI
…
Sims RJ 3rd
Cell Chemical Biology
2026-06-18
|
#cancer
#drug discovery
#protein structure
#transcription
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0
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Small-molecule inhibitors of the protein kinase DYRK as potential therapeutic candidates in cancer.
(linkinghub.elsevier.com)
|
Venkataramani P
…
Tonks NK
Cell Chemical Biology
2026-06-18
|
#kinase
#cancer
#inhibitor
#glioblastoma
#drug discovery
|
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0
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Structural and cellular insights into DCTPP1 antagonists and their synergistic action with DNMT inhibitors.
(pnas.org)
|
Hauk G
…
Berger JM
PNAS
2026-06-23
|
#cancer
#crystallography
#epigenetics
#drug discovery
#inhibitor
|
|
0
|
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DruGUI 2.0: Mapping Protein Druggability with Probe-Based Molecular Dynamics.
(academic.oup.com)
|
Ventura C
…
Bahar I
Bioinformatics
2026-06-24
|
#druggability
#simulation
#drug discovery
#protein structure
#computational
|
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0
|
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ATTNSOM: learning cross-isoform attention for cytochrome P450 site-of-metabolism prediction.
(academic.oup.com)
|
Kim H
…
Kang J
Bioinformatics
2026-07-01
|
#metabolism
#drug discovery
#machine learning
#prediction
|
|
0
|
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KLaR: fusing knowledge graphs and language models for biomedical target discovery.
(academic.oup.com)
|
Jiang Y
…
Liu X
Bioinformatics
2026-07-01
|
#drug discovery
#knowledge-graphs
#link-prediction
#language-models
#biomedical informatics
|
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0
|
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Improving hit discovery by integrating activity cliff sensitivity into active learning.
(academic.oup.com)
|
Kim J
…
Kim S
Bioinformatics
2026-07-01
|
#active learning
#drug discovery
#structure-activity
#machine learning
|
|
0
|
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Agentomics: an agentic system that autonomously develops novel state-of-the-art solutions for biomedical machine learning tasks.
(academic.oup.com)
|
Martinek V
…
Alexiou P
Bioinformatics
2026-07-01
|
#machine learning
#automation
#drug discovery
#genomics
#protein design
|
|
0
|
|
KASSPer: Kinase Active Site Structure Prediction using Protein and Ligand Language Models and Its Application to Virtual Screening.
(academic.oup.com)
|
Jang W
…
Shin WH
Bioinformatics
2026-07-01
|
#virtual screening
#kinase
#structure prediction
#drug discovery
#machine learning
|
|
0
|
|
Development of domain-specific probes of Plasmodium falciparum heat shock protein 70-1.
(journals.asm.org)
|
Keeler AM
…
Derbyshire ER
Antimicrobial Agents and Chemotherapy
2026-07-02
|
#malaria
#chaperone
#drug discovery
#inhibitor
#proteomics
|
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0
|
|
3DICE: Interpretable 3D Cross-Modal Learning for Drug-Target Interaction Prediction and Large-Scale Drug Discovery.
(academic.oup.com)
|
Liu AZR
…
Chua MCH
Bioinformatics
2026-07-02
|
#drug discovery
#deep learning
#protein structure
#binding prediction
|
|
0
|
|
Advancing bioinformatics with language models: components, applications, and perspectives.
(academic.oup.com)
|
Liu J
…
Zhou X
Briefings in Bioinformatics
2026-07-03
|
#bioinformatics
#machine learning
#genomics
#proteomics
#drug discovery
|
|
0
|
|
A graph retrieval-augmented generation pipeline for systematic drug target discovery: validation and application to ocular neovascularization.
(academic.oup.com)
|
Mun Y
…
Park KH
Briefings in Bioinformatics
2026-07-03
|
#druggability
#angiogenesis
#drug discovery
#knowledge-graphs
#neovascularization
|
|
0
|
|
SA-MTP: a structure-aware framework for multifunctional therapeutic peptide annotation.
(academic.oup.com)
|
Yu W
…
Sun N
Briefings in Bioinformatics
2026-07-03
|
#peptide
#annotation
#prediction
#drug discovery
|
|
0
|
|
Investigating the anticancer activity of eravacycline in pancreatic cancer via target-based deep learning and experimental validation.
(academic.oup.com)
|
Jabarin A
…
Ben-Shabat S
Briefings in Bioinformatics
2026-07-03
|
#pancreatic cancer
#drug discovery
#deep learning
#computational-screening
#p53
|
|
0
|
|
Integration of genetic evidence to identify approved drug targets.
(link.springer.com)
|
Moix S
…
Kutalik Z
Genome Medicine
2026-07-06
|
#genome-wide association
#drug discovery
#mendelian randomization
#gene-prioritization
#qtl
|
|
0
|
|
A ligandable PNT domain establishes ERG as a directly targetable oncogenic driver in prostate cancer.
(pnas.org)
|
Wang X
…
Chinnaiyan AM
PNAS
2026-07-07
|
#oncogene
#drug discovery
#prostate cancer
#transcription-factors
#structural biology
|
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0
|
|
RLAnOxPeptide: An Integrated Framework Combining Transformer and reinforcement learning for Efficient Antioxidant Peptide Prediction and Innovative Design.
(academic.oup.com)
|
Han C
…
Wang Y
Bioinformatics
2026-07-08
|
#peptide
#antioxidant
#de-novo-design
#machine learning
#drug discovery
|