@BindingDb

Enabling research by making a growing collection of high-quality, quantitative, binding data findable and usable. Funded by @NIGMS. @bindingdb@mstdn.science

 San Diego, CA
bindingdb.org
Joined December 2020
  • Tweets136
  • Following372
  • Followers733
19Media
It took us a bit longer, but P&D version 01.2026 is live! Updated core data sources (@ChEMBL 37, @GuidetoPHARM 2026.02, @BindingDb, @Chemical_probes, @Boehringer opnMe set, @reactome and many others), refined probe classification, and legacy set cleanups.
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New Practical Cheminformatics Tutorial, “Analyzing Patent Data from BindingDB”. colab.research.google.com/gi…

patent_analysis.ipynb

Run, share, and edit Python notebooks

colab.research.google.com
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Pleased to be presenting (remotely) in the 52nd British Patent Information Professionals (BPIP) meeting bpipinfo.com/ tomorrow, 8th Nov "The @BindingDb open patent SAR extraction initiative"
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We's pleased to announce that applications are now being accepted for the iCoMSE virtual workshop on enhanced sampling techniques March 20-24, 2023. Please see the following webpage for the application link and additional information about the workshop! i-comse.org/workshops/

Workshops

i-comse.org
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My group is looking for a computational postdoc. Projects range from better understanding the thermodynamics and dynamics of molecular recognition to development and application of methods that speed up structure-based drug discovery. Emphasis on the role of solvation. RT pls.
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Postdoc position available. Statistical mechanics modeling and statistical inference for molecular machines, multivalent systems, cell biology. Fascinating biophysics beyond MD. Email me directly. ohsu.edu/school-of-medicine/…
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In silico screening of drug affinity for the target protein could reduce time and cost for #drugdiscovery. TDC has three datasets for predicting binding affinities between proteins and small molecules: #BindingDB, DAVIS, and KIBA. #pharmacology @BindingDB tdcommons.ai/multi_pred_task…
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BindingDB retweeted
BindingDB@BindingDb28 Aug 2021
To directly download all the BindingDB data for a given UniProtID, use a URL like the following, substituting your UniProtID for P00178: Tab-separated with SMILES bindingdb.org/data/uniprot/d… #compchem #drugdiscovery #pharmacology #bioinformatics 1/2
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Folks, AmberTools21 is now available! This year’s cover was made by Stephan Schott-Verdugo. New features include simulations with ReaxFF and #gpu accelerated QM calculations with Quick. Download AmberTools21 for free here👉🏻: ambermd.org/AmberTools.php @ambermdprog @ACSCOMP #CompChem
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BindingDB retweeted
MolSSI@MolSSI_NSF27 Apr 2021
Profs. L. Chong & D. Zuckerman have organized a FREE 2-day (June 8/15) “Virtual School on Open-Source Software for Rare-Event Sampling Strategies,” sponsored by the MolSSI. Applications deadline: May 15. Visit our website for more information and to apply! molssi.org/event/molssi-scho…
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jobs.lever.co/relaytx/33f8c4…
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BindingDB retweeted
BioGRID@biogrid6 Jan 2021
Excited to share @BioGRID v4.2.193 passes 2 million curated interactions to kick start 2021!! Total now stands at 2,005,220 protein/genetic & 29,093 chemical-protein interactions curated from 75,988 scientific articles. thebiogrid.org/news/260 #datasharing #openscience #opendata
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BindingDB retweeted
BindingDB@BindingDb21 Dec 2020
BindingDB follows FAIR data sharing principles and is proud to be FAIRshare recommended: fairsharing.org/FAIRsharing.… @force11rescomm #compchem #DataScientist
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We created a website & Python script that renumbers residues in PDB files with UniProt numbering. It returns mmCIF & PDB format files of the ASU & bio assemblies for any list of entries or UniProtIDs. Plz help us test it. @buildmodels @PDBj_en @PDBeurope dunbrack3.fccc.edu/PDBrenum/
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Group leader position available in the Computational Biology Unit (CBU), Department of Chemistry, University of Bergen jobbnorge.no/en/available-jo…
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Scientific software developers! Join RCSB PDB to design, develop, & deploy modern web and data applications & complex user interfaces. Help accelerate research and training in biology, medicine, & related disciplines. Positions at @RutgersU & @SDSC_UCSD rcsb.org/pages/jobs
SARS-CoV-2 mRNA Vaccine painting by David S. Goodsell

ALT SARS-CoV-2 mRNA Vaccine painting by David S. Goodsell

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