OPUS-Fold: An Open-Source Protein Folding Framework Based on Torsion-Angle Sampling.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c00186
Abstract: In this paper, we propose a protein folding framework, named OPUS-Fold, which can integrate various methods for subproblems in protein structure prediction to contribute to folding. OPUS-Fold is based on torsion-angle sampling. After each sampling… read more here.
Keywords: folding framework; torsion angle; based torsion; protein folding ... See more keywords
Conformational analysis of two new organotin(IV) structures completed with a CSD survey.
Sign Up to like & getrecommendations! Published in 2021 at "Acta crystallographica. Section C, Structural chemistry"
DOI: 10.1107/s2053229620016502
Abstract: The conformational flexibilities are studied in two new organotin(IV) complexes, namely, trans-dichloridodimethylbis[N,N',N''-tris(2-chlorobenzyl)phosphoric triamide]tin(IV), [Sn(CH3)2(C21H21Cl3N3OP)2Cl2] or Sn(CH3)2Cl2{OP[NHCH2C6H4(2-Cl)]3}2, (I), and bis(dipropylammonium) tetrachloridodimethylstannate(IV), [(CH3CH2CH2)2NH2]2[Sn(CH3)2Cl4], (II), and their analogous structures from the Cambridge Structural Database (CSD). The conformations are… read more here.
Keywords: two new; hydrogen; based torsion; torsion angles ... See more keywords