000717128 000__ 03090cam\a2200445Ii\4500
000717128 001__ 717128
000717128 005__ 20230306140155.0
000717128 006__ m\\\\\o\\d\\\\\\\\
000717128 007__ cr\cn\nnnunnun
000717128 008__ 141117s2014\\\\sz\a\\\\o\\\\\001\0\eng\d
000717128 020__ $$a9783319099767$$qelectronic book
000717128 020__ $$a3319099760$$qelectronic book
000717128 020__ $$z9783319099750
000717128 020__ $$z3319099752
000717128 0247_ $$a10.1007/978-3-319-09976-7$$2doi
000717128 035__ $$aSP(OCoLC)ocn895661062
000717128 035__ $$a717128
000717128 040__ $$aN$T$$beng$$erda$$epn$$cN$T$$dYDXCP$$dOCLCO$$dOCLCQ$$dGW5XE$$dE7B$$dUPM$$dCOO
000717128 049__ $$aISEA
000717128 050_4 $$aQD431$$b.P76 2014
000717128 08204 $$a547/.7011$$223
000717128 24500 $$aProtein modelling$$h[electronic resource] /$$cGábor Náray-Szabó, editor.
000717128 264_1 $$aCham :$$bSpringer,$$c2014.
000717128 300__ $$a1 online resource (viii, 329 pages) :$$billustrations (some color)
000717128 336__ $$atext$$btxt$$2rdacontent
000717128 337__ $$acomputer$$bc$$2rdamedia
000717128 338__ $$aonline resource$$bcr$$2rdacarrier
000717128 500__ $$aIncludes index.
000717128 5050_ $$aIntroduction -- Quantum chemical calculations for small protein models -- Car-Parrinello simulations of chemical reactions in proteins -- Strictly localised molecular orbitals in QM/MM methods -- Polarizable force fields for proteins -- Protein electrostatics -- Molecular mechanics/coarse-grained models -- Modelling the Dynamic Architecture of Biomaterials using Continuum Mechanics -- Structure prediction of transmembrane proteins -- Dynamics of small, folded proteins -- Protein Ligand Docking in Drug Discovery -- ADMET prediction based on protein structures -- Index.
000717128 506__ $$aAccess limited to authorized users.
000717128 520__ $$aIn this volume, a detailed description of cutting-edge computational methods applied to protein modelling as well as specific applications are presented. Chapters include: quantum mechanical calculations on small protein models, the application of Car-Parrinello simulations to enzyme mechanisms, recent development of QM/MM methods, polarizable force fields, protein electrostatics, coarse-grained models, structure prediction of transmembrane proteins, molecular dynamics related to NMR spectroscopy, ligand docking, finite element methods for proteins as well as absorption-distribution-metabolism-excretion-toxicity prediction based on protein structures. An emphasis is laid on the clear presentation of complex concepts, since the book is primarily aimed at Ph.D. students, who need an insight into up-to-date protein modelling. A large number of descriptive, colour figures will allow the reader to get a pictorial representation of complicated structural issues.
000717128 588__ $$aOnline resource; title from PDF title page (SpringerLink, viewed December 29, 2014).
000717128 650_0 $$aProteins$$xMathematical models.
000717128 650_0 $$aQuantum biochemistry.
000717128 7001_ $$aNáray-Szabó, Gábor,$$eeditor.
000717128 77608 $$iPrint version:$$z9783319099750
000717128 85280 $$bebk$$hSpringerLink
000717128 85640 $$3SpringerLink$$uhttps://univsouthin.idm.oclc.org/login?url=http://dx.doi.org/10.1007/978-3-319-09976-7$$zOnline Access
000717128 909CO $$ooai:library.usi.edu:717128$$pGLOBAL_SET
000717128 980__ $$aEBOOK
000717128 980__ $$aBIB
000717128 982__ $$aEbook
000717128 983__ $$aOnline
000717128 994__ $$a92$$bISE