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    • IFD
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    2 results in IFD in Keywords: IFD

    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    A Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding

    , Authors: Edward Miller, Robert Murphy, Daniel Sindhikara, Ken Borrelli, Matthew Grisewood, Fabio Ranalli, Steven Dixon, Steven Jerome, Nicholas Boyles, Tyler Day, Phani Ghanakota, Sayan Mondal, Salma B. Rafi, Dawn M. Troast, Robert Abel, Richard Friesner
    Version 2 posted 16 December 2020
    4,328
    Downloads
    1
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    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models

    , Authors: Tianchuan Xu, Kai Zhu, Alexandre Beautrait, Jeremie Vendome, Kenneth Borrelli, Robert Abel, Richard Friesner, Edward Miller
    Version 1 posted 15 April 2022
    1,381
    Downloads
    3
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