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Updated: May 10, 2026

Synthesizing Amino Acids Modified with Reactive Carbonyls in Silico to Assess Structural Effects Using Molecular Dynamics Simulations
Published on: April 26, 2024
TIMBAL v2: update of a database holding small molecules modulating protein-protein interactions
Alicia P Higueruelo1, Harry Jubb, Tom L Blundell
1Department of Biochemistry, University of Cambridge, Cambridge CB1 2GA, UK. alicia@cryst.bioc.cam.ac.uk
Abstract:
TIMBAL is a database holding molecules of molecular weight <1200 Daltons that modulate protein-protein interactions. Since its first release, the database has been extended to cover 50 known protein-protein interactions drug targets, including protein complexes that can be stabilized by small molecules with therapeutic effect. The resource contains 14 890 data points for 6896 distinct small molecules. UniProt codes and Protein Data Bank entries are also included. Database URL: http://www-cryst.bioc.cam.ac.uk/timbal
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