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Biological and Medicinal Chemistry

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automation

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2 results in Keywords: automation

Biological and Medicinal Chemistry

Versatile algorithm for protein bond discovery: NOS linkages as a case study

Sophia Bazzi, Sharareh Sayyad

Version 1 posted 17 September 2024

66

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Biological and Medicinal Chemistry

Automated relative binding free energy calculations: from SMILES to ΔΔG

Harry Moore, Christian Margreitter, Jon Paul Janet, Ola Engkvist, Bert de Groot, Vytautas Gapsys

Version 1 posted 25 August 2022

1,271

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