Using Machine Learning to Parse Chemical Mixture Descriptions.
PMID:34497929
PepFun: Open Source Protocols for Peptide-Related Computational Analysis.
PMID:33809815
Proposal of the Annotation of Phosphorylated Amino Acids and Peptides Using Biological and Chemical Codes.
PMID:33573096
PFRED: A computational platform for siRNA and antisense oligonucleotides design.
PMID:33481821
Molecular representations in AI-driven drug discovery: a review and practical guide.
PMID:33431035
Automation and data-driven design of polymer therapeutics.
PMID:33242537
Isolating structural errors in reaction networks in systems biology.
PMID:32790862
BpForms and BcForms: a toolkit for concretely describing non-canonical polymers and complexes to facilitate global biochemical networks.
PMID:32423472
BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules.
PMID:31572779
rBAN: retro-biosynthetic analysis of nonribosomal peptides.
PMID:30737579
SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation.
PMID:30094683
Annotation of Peptide Structures Using SMILES and Other Chemical Codes-Practical Solutions.
PMID:29186902
The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands.
PMID:26464438