Modeling side-chain conformation
DOI: 10.1016/S0959-440X(96)80077-7
关键词: Computational chemistry 、 Packing problems 、 Homology modeling 、 Chemistry 、 Flexibility (engineering) 、 Statistical physics 、 Side chain
摘要: … sequence and side-chain conformational space on a fixed backbone using a Monte Carlo simulated annealing strategy. The search in conformational space includes rotameric and …
elsevier.com
sci-hub.se 参考文章(52)
Neena L. Summers, Martin Karplus, Modeling of side chains, loops, and insertions in proteins. Methods in Enzymology. ,vol. 202, pp. 156- 204 ,(1991) , 10.1016/0076-6879(91)02011-W
P. Tuffery, C. Etchebest, J.-L. Popot, R. Lavery, Prediction of the positioning of the seven transmembrane α-helices of bacteriorhodopsin: A molecular simulation study Journal of Molecular Biology. ,vol. 236, pp. 1105- 1122 ,(1994) , 10.1016/0022-2836(94)90015-9
Hannelore Schrauber, Frank Eisenhaber, Patrick Argos, Rotamers: to be or not to be? An analysis of amino acid side-chain conformations in globular proteins. Journal of Molecular Biology. ,vol. 230, pp. 592- 612 ,(1993) , 10.1006/JMBI.1993.1172
Liisa Holm, Chris Sander, Database algorithm for generating protein backbone and side-chain co-ordinates from a C alpha trace application to model building and detection of co-ordinate errors. Journal of Molecular Biology. ,vol. 218, pp. 183- 194 ,(1991) , 10.1016/0022-2836(91)90883-8
Jay W. Ponder, Frederic M. Richards, Tertiary templates for proteins. Use of packing criteria in the enumeration of allowed sequences for different structural classes. Journal of Molecular Biology. ,vol. 193, pp. 775- 791 ,(1987) , 10.1016/0022-2836(87)90358-5
Celia A. Schiffer, James W. Caldwell, Peter A. Kollman, Robert M. Stroud, Prediction of homologous protein structures based on conformational searches and energetics Proteins. ,vol. 8, pp. 30- 43 ,(1990) , 10.1002/PROT.340080107
Alessandro Monge, Elizabeth J.P. Lathrop, John R. Gunn, Peter S. Shenkin, Richard A. Freisner, Computer Modeling of Protein Folding: Conformational and Energetic Analysis of Reduced and Detailed Protein Models Journal of Molecular Biology. ,vol. 247, pp. 995- 1012 ,(1995) , 10.1006/JMBI.1995.0195
Johan Desmet, Marc De Maeyer, Bart Hazes, Ignace Lasters, THE DEAD-END ELIMINATION THEOREM AND ITS USE IN PROTEIN SIDE-CHAIN POSITIONING Nature. ,vol. 356, pp. 539- 542 ,(1992) , 10.1038/356539A0
Patrice Koehl, Marc Delarue, A self consistent mean field approach to simultaneous gap closure and side-chain positioning in homology modelling. Nature Structural & Molecular Biology. ,vol. 2, pp. 163- 170 ,(1995) , 10.1038/NSB0295-163
Ignace Lasters, Marc De Maeyer, Johan Desmet, Enhanced dead-end elimination in the search for the global minimum energy conformation of a collection of protein side chains Protein Engineering. ,vol. 8, pp. 815- 822 ,(1995) , 10.1093/PROTEIN/8.8.815