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Binding Poses

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2 results in Keywords: Binding Poses

Theoretical and Computational Chemistry

Predictions of the poses and affinity of a ligand over the entire surface of a NEET protein: the case of human mitoNEET

Ke Zuo, Riccardo Capelli, Giulia Rossetti, Rachel Nechushtai, Paolo Carloni

Version 1 posted 10 October 2022

146

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Physical Chemistry

SAMPL7 TrimerTrip Host-Guest Binding Poses and Binding Affinities from Spherical-Coordinates-Biased Simulations

Version 2 posted 27 July 2020

615

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