A Streamlined, General Approach for Computing Ligand Binding Free Energies and Its Application to GPCR-Bound Cholesterol

Reza Salari; Thomas Joseph; Ruchi Lohia; Jérôme Hénin; Grace Brannigan

doi:10.1021/acs.jctc.8b00447

Journal articles

A Streamlined, General Approach for Computing Ligand Binding Free Energies and Its Application to GPCR-Bound Cholesterol

Reza Salari Thomas Joseph Ruchi Lohia Jérôme Hénin ¹ Grace Brannigan ²

1 LBT (UPR_9080) - Laboratoire de biochimie théorique [Paris]

2 CCIB - Center for Computational and Integrative Biology [Camden]

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Journal articles

Domain :

Physics [physics] / Physics [physics] / Biological Physics [physics.bio-ph]

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https://hal.archives-ouvertes.fr/hal-02540263
Contributor : Jérôme Hénin Connect in order to contact the contributor
Submitted on : Friday, April 10, 2020 - 6:23:35 PM
Last modification on : Wednesday, February 9, 2022 - 3:46:07 AM

A Streamlined, General Approach for Computing Ligand Binding Free Energies and Its Application to GPCR-Bound Cholesterol

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A Streamlined, General Approach for Computing Ligand Binding Free Energies and Its Application to GPCR-Bound Cholesterol

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