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BMCBI
2006
114views more  BMCBI 2006»
13 years 5 months ago
A high level interface to SCOP and ASTRAL implemented in Python
Background: Benchmarking algorithms in structural bioinformatics often involves the construction of datasets of proteins with given sequence and structural properties. The SCOP da...
James A. Casbon, Gavin E. Crooks, Mansoor A. S. Sa...
JCC
2010
113views more  JCC 2010»
13 years 3 months ago
MDLab: A molecular dynamics simulation prototyping environment
Molecular dynamics (MD) simulation involves solving Newton’s equations of motion for a system of atoms, by calculating forces and updating atomic positions and velocities over a...
Trevor M. Cickovski, Santanu Chatterjee, Jacob Wen...