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LeDock
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    LeDock

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    LeDock
    Developer(s) Lephar
    Operating system Cross-platform
    Type Molecular docking
    Website www.lephar.com/software.htm

    LeDock is a simple proprietary molecular docking software that can be used for docking of ligands with protein targets. LeDock supports running on 64-bit Linux, macOS, and 32-bit and 64-bit Windows.

    Introduction

    LeDock is based on simulated annealing and evolutionary optimization of the ligand pose and its rotatable bonds, using a knowledge-based scoring scheme derived from years of prospective virtual screening campaigns.

    Performance

    LeDock was evaluated in a comprehensive study of docking programs on a diverse set of 2002 protein-ligand complexes, and demonstrated high accuracy in pose prediction and user-friendly features for virtual screening and hit elaboration. 

    See also

    External links


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