[Chimera-users] ViewDock Data Analysis

felipe vasquez anfelvas at gmail.com
Tue Jul 23 08:29:50 PDT 2013


I have been executing a couple of docking processes through Autodock vina
module in Chimera. Nevertheless, I am a bit confused about the docking
analysis, because although I obtained a score for a certain number of
ligand poses, I do not know if this number (-9.2, as an example) is
expressed in kcal/mol, kj/mol, or even another units. On the other hand, I
could not understand the meaning of RMSD l.b and RMSD u.b. What are they?
and what role the play in the docking analysis procedure?

Best regards,

*Andrés Felipe Vásquez J., MSc.*
Grupo de Fisiología Molecular
Subdirección de Investigación Científica y Tecnológica
Dirección de Investigación en Salud Pública
Instituto Nacional de Salud
Avenida calle 26 No. 51-20 - Zona 6 CAN
Bogotá, D.C., Colombia
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