Re: [Apbs-users] electrostatic surfaces
Biomolecular electrostatics software
Brought to you by:
sobolevnrm
From: Nathan B. <ba...@bi...> - 2005-09-12 13:46:50
|
Yes -- we've actually been working in this area, although the software is not ready for general consumption. Here are some other references: Blomberg N, Gabdoulline RR, Nilges M, Wade RC. Classification of protein sequences by homology modeling and quantitative analysis of electrostatic similarity. Proteins-Structure Function and Genetics. 37 (3), 379-87, 1999. http://www3.interscience.wiley.com/cgi-bin/fulltext/68502071/HTMLSTART Ferrè F, Ausiello G, Zanzoni A, Helmer-Citterich M. Surface: A database of protein surface regions for functional annotation. Nucleic Acids Research. 32 D240-D4, 2004. http://nar.oupjournals.org/cgi/content/full/32/suppl_1/D240 Gabdoulline RR, Wade RC. Analytically defined surfaces to analyze molecular interaction properties. Journal of Molecular Graphics. 14 (6), 341-53, 1996. http://dx.doi.org/10.1016/S0263-7855(97)00008-8 Gabdoulline RR, Wade RC, Walther D. Molsurfer: Two-dimensional maps for navigating three-dimensional structures of proteins. Trends in Biochemical Sciences. 24 (7), 285-7, 1999. http://dx.doi.org/10.1016/S0968-0004(99)01412-7 Kinoshita K, Nakamura H. Protein informatics towards function identification. Current Opinion in Structural Biology. 13 (3), 396-400, 2003. http://dx.doi.org/10.1016/S0959-440X(03)00074-5 Kinoshita K, Nakamura H. Ef-site and pdbjviewer: Database and viewer for protein functional sites. Bioinformatics. 20 (8), 1329-30, 2004. http://dx.doi.org/10.1093/bioinformatics/bth073 Livesay DR, Jambeck P, Rojnuckarin A, Subramaniam S. Conservation of electrostatic properties within enzyme families and superfamilies. Biochemistry. 42 (12), 3464-73, 2003. http://dx.doi.org/10.1021/bi026918f McCoy AJ, Chandana Epa V, Colman PM. Electrostatic complementarity at protein/protein interfaces. Journal of Molecular Biology. 268 (2), 570-84, 1997. http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&dopt=Citation&list_uids=9159491 Ray N, Cavin X, Paul J-C, Maigret B. Intersurf: Dynamic interface between proteins. Journal of Molecular Graphics and Modelling. 23 (4), 347-54, 2005. http://dx.doi.org/10.1016/j.jmgm.2004.11.004 Sheinerman FB, Norel R, Honig B. Electrostatic aspects of protein-protein interactions. Current Opinion in Structural Biology. 10 (2), 153-9, 2000. http://dx.doi.org/10.1016/S0959-440X(00)00065-8 Ullmann GM, Hauswald M, Jensen A, Knapp E-W. Structural alignment of ferredoxin and flavodoxin based on electrostatic potentials: Implications for their interactions with photosystem i and ferredoxin-nadp reductase. Proteins. 38 (3), 301-9, 2000. http://www3.interscience.wiley.com/cgi-bin/fulltext/70003975/HTMLSTART Wade RC, Gabdoulline RR, De Rienzo F. Protein interaction property similarity analysis. International Journal of Quantum Chemistry. 83 (3-4), 122-7, 2001. http://www3.interscience.wiley.com/cgi-bin/abstract/80002581/ABSTRACT On 9/9/2005 2:58 PM, Narcis Fernandez-Fuentes wrote: > Anybody knows how to quantitatively compare 2 electrostatic potential > maps? > > Thanks > > Narcis > > _______________________________________________ > apbs-users mailing list > apb...@ch... > http://cholla.wustl.edu/mailman/listinfo/apbs-users -- Assistant Professor, Dept. of Biochemistry and Molecular Biophysics Center for Computational Biology, Washington University in St. Louis Web: http://cholla.wustl.edu/ |