Resources
General Resources
- Top 200 Drugs – Njardson Lab
- Division of Organic Chemistry Resources
- Common Organic Chemistry
- Encyclopedia of Reagents for Organic Synthesis
- Common NMR Impurities
- Not Voodoo – Frontier Lab
- Denksport – Trauner Lab
- Chemistry by Design – Njardson Lab
- RowanSci – User Centered Quantum Chemistry
- Additional Resources List – Nilsson Group
- Mayr’s Database Of Reactivity Parameters
Webtools
Funding Opportunities
Biocatalysis
A resource for exploring the evolution of protein function through relationships in sequence, structure, phylogeny and function. Website
Protein Information Resource. Website.
SUPERFAMILY is a database of structural and functional annotation for all proteins and genomes. Link
No longer available
TIGRFAMs is a database of protein family definitions. Link
Not available
Link.
Software tool for analysis and visualization of tunnels and channels in protein structures.
Biochemical Reaction Database. Link
Synthesis Planning for Biocatalysis. Link
Predicted enzyme parameter entries. Link
Standardized data format for catalytic reaction data. Link
Standards for Reporting Enzymology Data. Link
Machine Learning
CLEAN – EC Annotations
EZSpecificity – Enzyme / Substrate Specificity
CATNIP – Substrate Enzyme Specificity Model. Link
kcat predictions. Publication
ESP – Enzyme-Substrate Pair Prediction
Predict whether a given enzyme will accept a specific substrate molecule, powered by our ProSmith model with improved accuracy.
TurNuP – kcat Prediction
Predict the catalytic turnover number kcat (s-1) for enzyme-substrate pairs from amino acid sequences and SMILES.
KM – KM Prediction
Predict the Michaelis constant KM (mM) — the substrate concentration at which the reaction rate is half-maximal.
SPOT – Transporter-Substrate Pair Prediction
Predict whether a membrane transporter protein will transport a given metabolite substrate across the cell membrane.
FCKcat – Mutation Effect Prediction
Predict the fold change in kcat caused by a mutation, by comparing the wild-type and mutant enzyme sequences.
Enzyme kinetic parameters. Publication