pyCaverDock: Python implementation of the popular tool for analysis of ligand transport with advanced caching and batch calculation support

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Authors: VÁVRA, Ondřej, Jakub BERANEK, Jan ŠTOURAČ, Martin SURKOVSKY, Jiří FILIPOVIČ, Jiří DAMBORSKÝ, Jan MARTINOVIC and David BEDNÁŘ

Journal title: Bioinformatics

Journal publisher: Oxford University Press

Published year: 2023

DOI identifier: 10.1093/bioinformatics/btad443

ISSN: 1367-4803