ERROR:SQLSTATE[HY000]: General error: 20018 Invalid column name 'CodigoInstitucion'. [20018] (severity 16) [SELECT PublicObrasAutores.NumeroEmpleado, PublicObrasAutores.ApellidoPaterno, PublicObrasAutores.ApellidoMaterno, PublicObrasAutores.Nombre, PublicObrasAutores.NombreCompleto FROM PublicObrasAutores LEFT JOIN PublicObrasAutoresFil ON PublicObrasAutores.RefPublicacion = PublicObrasAutoresFil.RefPublicacion WHERE PublicObrasAutores.RefPublicacion = '520339' AND PublicObrasAutores.NumeroEmpleado IS NULL AND PublicObrasAutoresFil.CodigoInstitucion IS NOT NULL;]
®
ERROR:SQLSTATE[HY000]: General error: 20018 Invalid column name 'CodigoInstitucion'. [20018] (severity 16) [SELECT PublicObrasAutores.NumeroEmpleado, PublicObrasAutores.ApellidoPaterno, PublicObrasAutores.ApellidoMaterno, PublicObrasAutores.Nombre, PublicObrasAutores.NombreCompleto FROM PublicObrasAutores LEFT JOIN PublicObrasAutoresFil ON PublicObrasAutores.RefPublicacion = PublicObrasAutoresFil.RefPublicacion WHERE PublicObrasAutores.RefPublicacion = '520339' AND PublicObrasAutores.NumeroEmpleado IS NULL AND PublicObrasAutoresFil.CodigoInstitucion IS NULL;]
®
ERROR:SQLSTATE[HY000]: General error: 20018 Invalid column name 'Institucion'. [20018] (severity 16) [SELECT Institucion FROM PublicObrasAutoresFil WHERE RefPublicacion = '520339']
®
ERROR:SQLSTATE[HY000]: General error: 20018 Invalid column name 'Institucion'. [20018] (severity 16) [SELECT Institucion FROM PublicObrasAutoresFil WHERE RefPublicacion = 520339 AND InstitucionPropia = 'S'
UNION
SELECT Adscripciones.Entidad FROM PublicacionesObras
JOIN PublicObrasAutores ON PublicacionesObras.Identificador = PublicObrasAutores.RefPublicacion
JOIN Adscripciones ON PublicObrasAutores.NumeroEmpleado = Adscripciones.NumeroEmpleado
WHERE (PublicacionesObras.FechaPublicacion BETWEEN Adscripciones.FechaDesde AND Adscripciones.FechaHasta OR (PublicacionesObras.FechaPublicacion >= Adscripciones.FechaDesde AND Adscripciones.FechaHasta IS NULL)) AND PublicacionesObras.Identificador= 520339]
SIIA Público
SISTEMA INTEGRAL DE INFORMACIÓN ACADÉMICA - PÚBLICO
Título del libro: Pharmaceutical Sciences: Breakthroughs In Research And Practice Título del capítulo: Application of Docking Methodologies in QSAR-Based Studies
FREE-ENERGY CALCULATION; MOLECULAR DOCKING; DRUG DESIGN; SCORING FUNCTIONS; 3D QSAR; SEARCH ALGORITHMS; AUTOMATED DOCKING; GENETIC ALGORITHM; TARGET STRUCTURES; ENSEMBLE DOCKING
Resumen:
The computational strategies permeate all aspects of drug discovery such
as virtual screening techniques. Virtual screening can be classified
into ligand based and structure based methods. The ligand based method
such as Quantitative Structure Activity Relationship (QSAR) is used when
a set of active ligand compounds is recognized and slight or no
structural information is available for the receptors. In structure
based drug design, the most widespread method is molecular docking. It
is widely accepted that drug activity is obtained through the molecular
binding of one ligand to receptor. In their binding conformations, the
molecules exhibit geometric and chemical complementarity, both of which
are essential for successful drug activity. The molecular docking
approach can be used to model the interaction between a small drug
molecule and a protein, which allow us to characterize the performance
of small molecules in the binding site of target proteins as well as to
clarify fundamental biochemical processes.
