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Published May 23, 2022 | Version 1.0.0
Software Open

FEgrow: An Open-Source Molecular Builder and Free Energy Preparation Workflow

Authors/Creators

  • 1. Newcastle University

Description

FEgrow code snapshot used in the publication of https://chemrxiv.org/engage/chemrxiv/article-details/6287bb98a42e9c78d34769f6 which has now been accepted to the Communications Chemistry journal. 

Files

Files (10.2 MB)

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md5:82d12fa9df25563452b953ba7313ffad
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Additional details

Funding

UK Research and Innovation
Next generation atomistic modelling for medicinal chemistry and biology MR/T019654/1