MARC Record from Library of Congress

LEADER: 03172cam a22003977a 4500
001 2011499423
003 DLC
005 20111027084643.0
008 111026s2010 gw a b 001 0 eng
010 $a 2011499423
015 $aGBA9A0272$2bnb
016 7 $a101526020$2DNLM
016 7 $a015392047$2Uk
016 7 $a99564702X$2DE-101
020 $a9783527324217 (alk. paper)
020 $a3527324216 (alk. paper)
035 $a(OCoLC)ocn506242088
040 $aNLM$cNLM$dUKM$dSINUS$dBWX$dYDXCP$dTEF$dCDX$dBTCTA$dUKMGB$dOHX$dHEBIS$dEXW$dUWO$dVRC$dDLC
042 $aukblsr$anlmcopyc$alccopycat
050 00 $aTP247.5$b.M64 2010
060 00 $a2010 C-227
060 10 $aQD 544$bM689 2010
082 04 $a541.3482011$222
245 00 $aModeling solvent environments :$bapplications to simulations of biomolecules /$cedited by Michael Feig.
260 $aWeinheim :$bWiley-VCH,$cc2010.
300 $axviii, 316 p. :$bill. (some col.) ;$c25 cm.
504 $aIncludes bibliographical references and index.
505 0 $aBiomolecular solvation in theory and experiment -- Model-free "solvent modeling" in chemistry and biochemistry based on the statistical mechanics of liquids -- Developing force fields from the microscopic structure of solutions: the Kirkwood-Buff approach -- Osmolyte influence on protein stability: perspectives of theory and experiment -- Modeling aqueous solvent effects through local properties of water -- Continuum electrostatics solvent modeling with the generalized Born model -- Implicit solvent force-field optimization -- Modeling protein solubility in implicit solvent -- Fast analytical continuum treatments of solvation -- On the development of state-specific coarse-grained potentials of water -- Molecular dynamics simulations of biomolecules in a polarizable coarse-grained solvent -- Modeling electrostatic polarization in biological solvents.
520 1 $a"While much attention has been given to the development of realistic macromolecular models, this book focuses on latest advances in modeling the equally important solvent environment in an accurate and efficient manner. A comprehensive view of the current methods for modeling solvent environments is presented in contributions from the leading researchers in the field. Throughout, the emphasis is placed on the application of such models in simulation studies of biological processes, although the coverage is sufficiently broad to extend to other systems as well." "The book presents a comprehensive account of the many recently developed new methods and contrasts their different strengths. As such, this monograph treats a full range of topics, from statistical mechanics-based approaches to popular mean field formalisms, coarse-grained solvent models, more established explicit, fully atomic solvent models, and recent advances in applying ab initio methods for modeling solvent properties."--BOOK JACKET.
650 0 $aSolvents$xMathematical models.
650 0 $aBiomolecules$xMathematical models.
650 12 $aSolvents.
650 22 $aModels, Theoretical.
650 07 $aLösungsmitteleffekt.$2swd
650 07 $aMolekulardesign.$2swd
700 1 $aFeig, Michael.