PacDOCK: A Web Server for Positional Distance-Based and Interaction-Based Analysis of Docking Results.

Carbone, Jacopo; Ghidini, Alessia; Romano, Antonio; Gentilucci, Luca; Musiani, Francesco

Carbone, Jacopo; Ghidini, Alessia; Romano, Antonio; Gentilucci, Luca; Musiani, Francesco.

Carbone J; Department of Chemistry "G. Ciamician", University of Bologna, Via Selmi 2, 40126 Bologna, Italy.
Ghidini A; Laboratory of Bioinorganic Chemistry, Department of Pharmacy and Biotechnology, University of Bologna, Viale G. Fanin 40, 40127 Bologna, Italy.
Romano A; Department of Chemistry "G. Ciamician", University of Bologna, Via Selmi 2, 40126 Bologna, Italy.
Gentilucci L; Laboratory of Bioinorganic Chemistry, Department of Pharmacy and Biotechnology, University of Bologna, Viale G. Fanin 40, 40127 Bologna, Italy.
Musiani F; Wiraki, Via Laurentina 749, 00143 Rome, Italy.

Molecules ; 27(20)2022 Oct 14.

Article en En | MEDLINE | ID: mdl-36296477

Asunto(s)

Computadores; Ligandos; Simulación del Acoplamiento Molecular; Sitios de Unión; Conformación Molecular; Unión Proteica; Conformación Proteica

Palabras clave

RMSD calculation; atom matching; binding mode; clustering; docking assessment; molecular docking; molecular visualization; proteinligand interactions; structure-based drug design; web server

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