In this paper we present a method for flexible protein structure alignment based on elastic shape analysis of backbones, in a manner that can incorporate different characteristics...
Background: Protein conformation and protein/protein interaction can be elucidated by solution-phase Hydrogen/ Deuterium exchange (sHDX) coupled to high-resolution mass analysis o...
Ernst Althaus, Stefan Canzar, Carsten Ehrler, Mark...
We report results for the in-silico screening of a database of 10000 flexible compounds against various crystal structures of the thymidine kinase receptor complexed with 10 know...
Molecular dynamics simulations have been employed by biologists to study the protein folding problem. Such simulations have resulted in a large number of protein folding trajector...
Hui Yang, Saurabh Gupte, Runtang Wang, Rahul Parte
Background: CRANKITE is a suite of programs for simulating backbone conformations of polypeptides and proteins. The core of the suite is an efficient Metropolis Monte Carlo sample...