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computer modeling of proteins and polymers: structure, dynamics and thermodynamics
in silico prediction of protein structure: from comparative modeling to de novo folding
protein folding pathway simulations
bioinformatics and biological statistics
computer aided drug design
modeling and predicting of biomacromolecular interactions: prediction of protein function
development of software for large scale molecular modeling and computational analysis of experimental data on biomacromolecules
our latest papers
CABS-fold uses an efficient simulation procedure for protein structure prediction: in de novo fashion (from amino acid sequence only), guided by user-provided template(s) (consensus modeling) and/or user-provided distance restraints (e.g. from sparse experimental data).
CABS-flex is an efficient procedure for the simulation of structure flexibility of folded globular proteins. Using an input protein structure the CABS-flex outputs:
a set of protein models (reflecting the flexibility of the input structure, in all-atom PDB format) ready to use in structure-based studies of protein functions and interactions,
2D fluctuation profiles and other accompanying analysis.
Laboratory of Theory of Biopolymers,
Faculty of Chemistry UW
ul. Pasteura 1, 02-093 Warszawa
tel.: (+48) 22 8220211
fax: (+48) 22 8220221, (+48) 22 8225996
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