Lv5175
1202 积分 2023-07-05 加入
Integrating Medicinal Chemist Expertise with Deep Learning for Automated Molecular Optimization
16天前
已完结
The open-source Masala software suite: Facilitating rapid methods development for synthetic heteropolymer design
24天前
已完结
EnsembleCycPerm: Interpretable Modeling of Cyclic Peptide Permeability through Solvent-Dependent Conformational Ensembles
1个月前
已完结
Derisking Affinity Optimization for Macrocycles and Cyclic Peptides: High-Precision Free Energy Simulations across Five Diverse Targets
1个月前
已完结
Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS
1个月前
已完结
Discovery of Daraxonrasib (RMC-6236), a Potent and Orally Bioavailable RAS(ON) Multi-selective, Noncovalent Tri-complex Inhibitor for the Treatment of Patients with Multiple RAS-Addicted Cancers
1个月前
已完结
CDK2 heterobifunctional degraders co-degrade CDK2 and cyclin E resulting in efficacy in CCNE1-amplified and overexpressed cancers
1个月前
已完结
In silico prediction of chemical genotoxicity using machine learning methods and structural alerts
2个月前
已完结
Reliability-Aware Deep Learning Framework for Chemical Genotoxicity Prediction with Uncertainty Quantification
2个月前
已完结
Accurate 3D Structure Prediction of Small Cyclic Peptides Containing Non-Canonical Amino Acid Residues Using an All-Atom Diffusion Model with Stereogenic Implementation
2个月前
已完结
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