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Báo cáo khoa học: and protein bilinear indices – novel bio-macromolecular descriptors for protein research: I. Predicting protein stability effects of a complete set of alanine substitutions in the Arc repressor

Descriptors calculated from a specific representation scheme encode only one part of the chemical information. For this reason, there is a need to construct novel graphical representations of proteins and novel protein descriptors that can provide new information about the structure of proteins. | TOMOCOMD-CAMPS and protein bilinear indices - novel bio-macromolecular descriptors for protein research I. Predicting protein stability effects of a complete set of alanine substitutions in the Arc repressor Sadiel E. Ortega-Broche1 Yovani Marrero-Ponce1 2 3 Yunaimy E. Diaz1 Francisco Torrens2 and Facundo Perez-Gimenez3 1 Unit of Computer-Aided Molecular Biosilico Discovery and Bioinformatics Research CAMD-BIR Unit Faculty of Chemistry-Pharmacy CentralUniversity of Las Villas Santa Clara Villa Clara Cuba 2 Institut Universitari de Ciencia Molecular Universitat de Valencia Edifici d Instituts de Paterna Spain 3 Unidad de Investigacion de Diseno de Farmacos y Conectividad Molecular Departamento de Quimica Fisica Facultad de Farmacia Universitat de Valencia Spain Keywords arc repressor bilinear indices linear discriminant analysis linear multiple regression protein stability Correspondence Y. Marrero-Ponce Unit of Computer-Aided Molecular Biosilico Discovery and Bioinformatics Research CAMD-BIR Unit Faculty of Chemistry-Pharmacy Central University of Las Villas Santa Clara 54830 Villa Clara Cuba Fax 53 42 281130 53 42 281455 34 96354 3156 Tel 53 42 281192 53 42 281473 34 96354 3156 E-mail ymarrero77@yahoo.es ymponce@gmail.com yovanimp@uclv.edu.cu Website http www.uv.es yoma Received 3 March 2009 revised 15 April 2010 accepted 14 May 2010 doi 10.1111 j.1742-4658.2010.07711.x Descriptors calculated from a specific representation scheme encode only one part of the chemical information. For this reason there is a need to construct novel graphical representations of proteins and novel protein descriptors that can provide new information about the structure of proteins. Here a new set of protein descriptors based on computation of bilinear maps is presented. This novel approach to biomacromolecular design is relevant for QSPR studies on proteins. Protein bilinear indices are calculated from the kth power of nonstochastic and stochastic graph-theoretic electronic-contact .