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SHARPEN SOFTWARE IN
DESINING NEW PROTEIN
MOLECULE
By- Suchismita patra
6th sem, 3rd year.
INTRODUCTION
• SHARPEN: Systematic Hierarchical Algorithms for Rotamers
and Proteins on an Extended Network.
• The intrinsic properties of folded or misfolded proteins are largely
derived from the final three-dimensional conformation of the chain.
• These tools allow users to develop new algorithms for a variety of applications including
protein repacking, protein-protein docking, loop rebuilding, or homology model
remediation.
Code Availability
• The core of the software is a new open-source library called
CHOMP (Combinatorial Hierarchical Optimization for
Macromolecular Problems).
• When packaged for scalable distribution, then it refer to the
program as SHARPEN (Systematic Hierarchical Algorithms for
Rotamers and Proteins on an Extended Network).
• SHARPEN currently consists of the CHOMP library code
ROLL OF SHARPEN SOFTWARE
High resolution structure prediction
current laboratory techniques for determining
protein structure, X-ray crystallography and NMR
spectroscopy, are relatively slow, expensive and
often difficult to perform.
• In principle, one can then refine the structure until it is close to that of the
real protein.
Continuation…
Loop rebuilding
• Loop rebuilding is an important problem in its own
right.