03160mam a2200361 a 4500 1896970 BD-DhUL 20140915170026.0 960502s1996 gw a b 100 0 eng d 3540608699 (SpringerVerlag) 2868832636 (Les Editions de Physique) (OCoLC)ocm34667247 CIN CIN PMC AGL OrLoB-B BD-DhUL 530.12 QUA Quantum mechanical simulation methods for studying biological systems : Les Houches Workshop, May 2-7, 1995 / editors, Dominique Bicout, Martin Field. Berlin ; New York : Springer-Verlag ; Les Ulis : Les Editions de Physique ; Cambridge, MA : PCG Inc., c1996. xiv, 311 p. : ill. ; 24 cm. BGP 60.00 Centre de physique, Les Houches ; 4 Includes bibliographical references. Lecture 1. Density functional theory / N. C. Handy -- Lecture 2. Practical density functional approaches in chemistry and biochemistry / A. St-Amant -- Lecture 3. A quantum chemical view of the initial photochemical event in photosynthesis / M. C. Zerner -- Lecture 4. Curve crossing in a protein: coupling of the elementary quantum process to motions of the protein / K. Schulten -- Lecture 5. Quantum-classical molecular dynamics. Models and applications / P. Bala, P. Grochowski, B. Lesyng and J. A. McCammon -- Lecture 6. Quantum dynamics simulation of a small quantum system embedded in a classical environment / H. J. C. Berendsen and J. Mavri -- Lecture 7. A tubular view of electron transfer in azurin / J. J. Regan and J. N. Onuchic -- Lecture 8. Biological electron transfer: measurement, mechanism, engineering requirements / C. C. Moser and P. L. Dutton -- Lecture 9. The photodetachment of an electron from a chloride ion in water studied by quantum molecular dynamics simulation / A. Staib and D. Borgis -- Lecture 10. Quantum chemistry of in situ retinal: study of the spectral properties and dark adaptation of Bacteriorhodopsin / I. Logunov and K. Schulten -- Lecture 11. Towards an understanding of quantum factors in small ligand geminate recombination to heme proteins / W. Nowak and J.-L. Martin -- Lecture 12. A parallel direct SCF method for large molecular systems / T. R. Furlani and H. F. King -- Lecture 13. Multigrid electrostatic computations in density functional theory / M. P. Merrick, K. A. Iyer and T. L. Beck -- Lecture 14. Symmetry-oriented research of polymers PC program POLSym and DNA / I. Milosevic, A. Damjanovic and M. Damnjanovic. Biomolecules Structure Computer simulation Congresses. Biomolecules Structure Mathematical models Congresses. Proteins Structure Computer simulation Congresses. Proteins Structure Mathematical models Congresses. Structure-activity relationships (Biochemistry) Congresses. Bicout, Dominique. Field, Martin. Centre de physique des Houches (Series) ; 4. AUTH TOC ddc BK 10694 10694 0 0 ddc 0 530_120000000000000_QUA 0 NFIC 19035 DUSL DUSL GEN 1998-04-02 Purchased 530.12 QUA 370761 2014-09-15 2014-09-15 BK