Vertrees was first introduced to PyMOL in 2005 as a graduate student in biophysics at the University of Texas Medical Branch at Galveston during a class on
macromolecular modeling.
The work is based in the Rosetta
macromolecular modeling package developed by Baker and his colleagues.
Not exact matches
Molecular dynamics was used to refine
macromolecular structures by incorporating the difference between the observed crystallographic structure factor amplitude and that calculated from an assumed atomic
model into the total energy of the system.
an image processing framework to obtain 3D
models of
macromolecular complexes using 3D EM that allows you to execute workflows combining different software tools, while taking care of formats and conversions.
Optical imaging and spectroscopy, advanced optical imaging techniques in particular super-resolution fluorescence microscopy, optical physics, nanotechnology, single - molecule biophysics and
macromolecular biochemistry, single - molecule imaging, gene expression, computational
modeling, single - molecule (force) spectroscopy, biomolecular engineering, nucleic acid nanotechnology
The presented work applies GPUs to rapidly refine initial placements of protein
models into low resolution density maps thereby accelerating construction of atomic - detail
models for large
macromolecular assemblies.