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Supporting data and code for: Machine Learning analysis of protein-ligand interaction fingerprints (IF) extracted from tau-RAMD dissociation trajectories for inhibitors of HSP90

Daria B. Kokh; Tom Kaufmann; Bastian Kister; Rebecca C. Wade

Contact person(s)
Daria B. Kokh
Researcher(s)
Tom Kaufmann; Bastian Kister; Rebecca C. Wade

Supporting data and code for the manuscript:

"Machine learning analysis of tauRAMD trajectories to decipher molecular determinants of drug-target residence times" of  Kokh DB, Kaufman T, Kister B, Wade RC., (2019) submitted.

 

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ML-HSP90-v1.0.tar.gz
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