TALLERES
TALLER
MODELAJE
MOLECULAR EN BIOLOGIA ESTRUCTURAL
(Auspiciado por el Centro de Estudios
Avanzados del IVIC y el CONICIT)
Dr. Gerald Offer, Bristol University,
Dr. Raúl Padrón y Lic. Lorenzo
Alamo, IVIC
Martes 2 de Marzo de 1999
DISPLAYING PROTEIN MOLECULES (MOLECULAR
GRAPHICS):
a)Examples:
Structural Data-bases in Internet
Software for molecular modeling
b) Input ie pdb files, coordinate files
and connectivity files.
c) Representation of atoms as lines, balls
and sticks, cpk, ribbon diagrams
d) Using color, stereo, slab and rotation
to pick out features of interest eg
particular residues, charge, subunits,
ligands
e) Comparing structures by superposition
eg comparing acto-S1 pre and post powerstroke
Resumen
de la sesión
Martes 9 de Marzo de 1999
BUILDING MOLECULES AND ASSEMBLIES
a) Building small organic molecules eg
GTP
b) Building polypeptide chains from residues
with defined secondary structure.
c) Putting together molecules from large
fragments eg two-headed myosin
molecules from proteolytically cleaved
head and coiled coil
d) Using symmetry (rotation and translation)
to make assemblies such as F-actin and myosin filaments.
Resumen
de la sesión
Martes 16 de Marzo de 1999
MOLECULAR MECHANICS
a)Energy minimisation
b) Molecular dynamics
c) Digital Scanning and Image processing
of electron microgrphs
Resumen
de la sesión
Martes 23 de Marzo de 1999
FITTING OF ATOMIC MODELS TO 3D RECONSTRUCTIONS
a) Helical three-dimensional reconstuction
tecnique
SPIDER + WEB
b) displaying maps: slices, contour plots
and surface views of reconstruction and model
c) making density maps from models
d) low-pass filtering
e) correlation of model and reconstruction
f) refining by downhill simplex and simulated
annealing
Resumen
de la sesión
Duración:
16 horas
Creditos: 1
Idioma: Inglés
Lugar: Servicio
de Procesamiento Digital de Imágenes (c. # 219) y Auditorium Karl
Gaede, Departamento de Biología Estructural (DBE)
Participantes
Seleccionados
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