Computational Chemist
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Francis Crick Institute
- London
- https://orcid.org/0000-0002-6023-7371
- @danihares.bsky.social
Popular repositories Loading
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decoding-bcl6-inhibitors
decoding-bcl6-inhibitors PublicSupplementary files for paper titled "Decoding BCL6 Inhibitors: Computational Insights into the Impact of Water Networks on Potency"
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GrandFEP
GrandFEP PublicForked from deGrootLab/GrandFEP
Alchemical Free Energy Calculations with Grand Canonical Ensemble
Python
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biosimspace_fep_workflows
biosimspace_fep_workflows PublicForked from OpenBioSim/ligand_fep_workflows
Snakemake workflows for ligand FEP in BioSimSpace using SOMD2 or GROMACS
Python
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