5 research outputs found
Detection of Hydrophobic Clusters in Molecular Dynamics Protein Unfolding Simulations Using Association Rules
No full textDe novo protein structure prediction
No full textAn unparalleled amount of sequence data is being made available from large-scale genome sequencing efforts. The data provide a shortcut to the determination of the function of a gene of interest, as long as there is an existing sequenced gene with similar sequence and of known function. This has spurred structural genomi
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations
No full text
