caa a22 4500 469053291 CHVBK 20180323132836.0 cr unu---uuuuu 170328e19920201xx s 000 0 eng 10.1007/BF00124388 doi (NATIONALLICENCE)springer-10.1007/BF00124388 Computer simulation of the conformational behaviour of angiotensinogen (6-13) renin substrate [Elektronische Daten] [M. Benkoulouche, M. Cotrait, B. Maigret] Summary: The conformational behaviour of the biologically active angiotensinogen (6-13) fragment has been investigated by computer simulations. A large sample of conformers has been generated using the Monte-Carlo procedure, then analysed using classification and partition methods. Seven families can describe the conformational distribution. About 40% of conformers are fully extended, 28% are folded at the C-terminal His6-Pro7-Phe8-His9 level and the others are folded at different levels. The study highlights the extreme flexibility of the angiotensinogen fragment. ESCOM Science Publishers B.V, 1992 Angiotensinogen (6-13) nationallicence Monte-Carlo methods nationallicence Cluster analysis nationallicence Conformational analysis nationallicence Benkoulouche M. Laboratoire de Cristallographie, URA 144 du CNRS, 351 cours de la Libération, F-33405, Talence Cedex, France aut Cotrait M. Laboratoire de Cristallographie, URA 144 du CNRS, 351 cours de la Libération, F-33405, Talence Cedex, France aut Maigret B. Laboratoire de RMN et de Modélisation Moléculaire, UMR 50 du CNRS, Institut LeBel, Université Louis Pasteur, 4 rue Blaise Pascal, F-67000, Strasbourg, France aut Journal of Computer-Aided Molecular Design Kluwer Academic Publishers 6/1(1992-02-01), 79-91 0920-654X 6:1<79 1992 6 10822 https://doi.org/10.1007/BF00124388 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00124388 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Benkoulouche M. Laboratoire de Cristallographie, URA 144 du CNRS, 351 cours de la Libération, F-33405, Talence Cedex, France aut NATIONALLICENCE 700 1- Cotrait M. Laboratoire de Cristallographie, URA 144 du CNRS, 351 cours de la Libération, F-33405, Talence Cedex, France aut NATIONALLICENCE 700 1- Maigret B. Laboratoire de RMN et de Modélisation Moléculaire, UMR 50 du CNRS, Institut LeBel, Université Louis Pasteur, 4 rue Blaise Pascal, F-67000, Strasbourg, France aut NATIONALLICENCE 773 0- Journal of Computer-Aided Molecular Design Kluwer Academic Publishers 6/1(1992-02-01), 79-91 0920-654X 6:1<79 1992 6 10822 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer