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Rotamer Dynamics: Analysis of Rotamers in Molecular Dynamics Simulations of Proteins
(Biophysical Society, 2019)
Given by χ torsional angles, rotamers describe the side-chain conformations of amino acid residues in a protein based on the rotational isomers (hence the word rotamer). Constructed rotamer libraries, based on either protein ...
Homology modeling in the time of collective and artificial intelligence
(Elsevier Science BV, 2020)
Homology modeling is a method for building protein 3D structures using protein primary sequence and utilizing prior knowledge gained from structural similarities with other proteins. The homology modeling process is done ...