000 03160mam a2200361 a 4500
001 1896970
003 BD-DhUL
005 20140915170026.0
008 960502s1996 gw a b 100 0 eng d
020 _a3540608699 (SpringerVerlag)
020 _a2868832636 (Les Editions de Physique)
035 _a(OCoLC)ocm34667247
040 _aCIN
_cCIN
_dPMC
_dAGL
_dOrLoB-B
_dBD-DhUL
082 _a530.12
_bQUA
245 0 0 _aQuantum mechanical simulation methods for studying biological systems :
_bLes Houches Workshop, May 2-7, 1995 /
_ceditors, Dominique Bicout, Martin Field.
260 _aBerlin ;
_aNew York :
_bSpringer-Verlag ;
_aLes Ulis :
_bLes Editions de Physique ;
_aCambridge, MA :
_bPCG Inc.,
_cc1996.
300 _axiv, 311 p. :
_bill. ;
_c24 cm.
365 _aBGP
_b60.00
490 1 _aCentre de physique, Les Houches ;
_v4
504 _aIncludes bibliographical references.
505 0 0 _gLecture 1.
_tDensity functional theory /
_rN. C. Handy --
_gLecture 2.
_tPractical density functional approaches in chemistry and biochemistry /
_rA. St-Amant --
_gLecture 3.
_tA quantum chemical view of the initial photochemical event in photosynthesis /
_rM. C. Zerner --
_gLecture 4.
_tCurve crossing in a protein: coupling of the elementary quantum process to motions of the protein /
_rK. Schulten --
_gLecture 5.
_tQuantum-classical molecular dynamics. Models and applications /
_rP. Bala, P. Grochowski, B. Lesyng and J. A. McCammon --
_gLecture 6.
_tQuantum dynamics simulation of a small quantum system embedded in a classical environment /
_rH. J. C. Berendsen and J. Mavri --
_gLecture 7.
_tA tubular view of electron transfer in azurin /
_rJ. J. Regan and J. N. Onuchic --
_gLecture 8.
_tBiological electron transfer: measurement, mechanism, engineering requirements /
_rC. C. Moser and P. L. Dutton --
505 8 0 _gLecture 9.
_tThe photodetachment of an electron from a chloride ion in water studied by quantum molecular dynamics simulation /
_rA. Staib and D. Borgis --
_gLecture 10.
_tQuantum chemistry of in situ retinal: study of the spectral properties and dark adaptation of Bacteriorhodopsin /
_rI. Logunov and K. Schulten --
_gLecture 11.
_tTowards an understanding of quantum factors in small ligand geminate recombination to heme proteins /
_rW. Nowak and J.-L. Martin --
_gLecture 12.
_tA parallel direct SCF method for large molecular systems /
_rT. R. Furlani and H. F. King --
_gLecture 13.
_tMultigrid electrostatic computations in density functional theory /
_rM. P. Merrick, K. A. Iyer and T. L. Beck --
_gLecture 14.
_tSymmetry-oriented research of polymers PC program POLSym and DNA /
_rI. Milosevic, A. Damjanovic and M. Damnjanovic.
650 0 _aBiomolecules
_xStructure
_xComputer simulation
_vCongresses.
650 0 _aBiomolecules
_xStructure
_xMathematical models
_vCongresses.
650 0 _aProteins
_xStructure
_xComputer simulation
_vCongresses.
650 0 _aProteins
_xStructure
_xMathematical models
_vCongresses.
650 0 _aStructure-activity relationships (Biochemistry)
_vCongresses.
700 1 _aBicout, Dominique.
700 1 _aField, Martin.
830 0 _aCentre de physique des Houches (Series) ;
_v4.
900 _aAUTH
_bTOC
942 _2ddc
_cBK
999 _c10694
_d10694