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020 _a9789400752856
_9978-94-007-5285-6
024 7 _a10.1007/978-94-007-5285-6
_2doi
050 4 _aR-RZ
072 7 _aMBGR
_2bicssc
072 7 _aMED000000
_2bisacsh
082 0 4 _a610
_223
245 1 0 _aIdentification of Ligand Binding Site and Protein-Protein Interaction Area
_h[electronic resource] /
_cedited by Irena Roterman-Konieczna.
264 1 _aDordrecht :
_bSpringer Netherlands :
_bImprint: Springer,
_c2013.
300 _aX, 170 p.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aFocus on Structural Biology,
_x1571-4853 ;
_v8
505 0 _aContributors -- Foreword -- Chapter 1 SuMo, J-A. Chemelle, E. Bettler, CH. Combet, R. Terreux, CH. Geourjon, G. Deleage -- Chapter 2 Identification of pockets on protein surface to predict protein–ligand binding sites, Binding Huang -- Chapter 3 Can the structure of the hydrophobic core determine the complexation site?, M. Banach, L. Konieczny, I. Roterman -- Chapter 4 Comparative analysis of techniques oriented on the recognition of ligand binding area in proteins, P. Alejster, M. Banach, W. Jurkowski, D. Marchewka, I. Roterman -- Chapter 5 Docking predictions of protein-protein interactions and their assessment, Joel Janin -- Chapter 6 Prediction of protein-protein binding interfaces, D. Marchewka, W. Jurkowski, M. Banach, I. Roterman -- Chapter 7 Support for Cooperative Experiments in e-Science: From Scientific Workflows to Knowledge Sharing, A. Belloum, R. Cushing, S. Koulouzis, V. Korkhov, D. Vasunin, V. Guevara-Masis, Z. Zhao, M. Bubak -- Index.
520 _aThis volume presents a review of the latest numerical techniques used to identify ligand binding and protein complexation sites. It should be noted that there are many other theoretical studies devoted to predicting the activity of specific proteins and that useful protein data can be found in numerous databases. The aim of advanced computational techniques is to identify the active sites in specific proteins and moreover to suggest a generalized mechanism by which such protein-ligand (or protein-protein) interactions can be effected. Developing such tools is not an easy task – it requires extensive expertise in the area of molecular biology as well as a firm grasp of numerical modeling methods. Thus, it is often viewed as a prime candidate for interdisciplinary research.
650 0 _aMedicine.
650 1 4 _aBiomedicine.
650 2 4 _aBiomedicine general.
700 1 _aRoterman-Konieczna, Irena.
_eeditor.
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9789400752849
830 0 _aFocus on Structural Biology,
_x1571-4853 ;
_v8
856 4 0 _uhttp://dx.doi.org/10.1007/978-94-007-5285-6
912 _aZDB-2-CMS
942 _2Dewey Decimal Classification
_ceBooks
999 _c48550
_d48550