Work

Supplementary Video S1 from DINC 2.0: A New Protein–Peptide Docking Webserver Using an Incremental Approach

Year: 2024

Type: supplementary-materials

Abstract: Quick re-docking with DINC. Narrated screencast demonstrating how to reproduce a known protein-ligand binding mode using the DINC 2.0 webserver. The crystal structure of an HIV-1 protease enzyme bound to a 12 DoFs drug inhibitor is used as an example for this video tutorial (PDB code 1OHR).

DOI: 10.1158/0008-5472.26372152.v1

Authors: Dinler A. Antunes, Mark Moll, Didier Devaurs, Kyle R. Jackson, Gregory Lizée, Lydia E. Kavraki

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: gold

OpenAlex ID: W4400977979

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