Research Catalog

Quantum mechanical simulation methods for studying biological systems : Les Houches Workshop, May 2-7, 1995

Title: Quantum mechanical simulation methods for studying biological systems : Les Houches Workshop, May 2-7, 1995 / editors, Dominique Bicout, Martin Field.
Publication: Berlin ; New York : Springer-Verlag ; Les Ulis : Les Editions de Physique ; Cambridge, MA : PCG Inc., [1996], ©1996.

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Description

xiv, 311 pages : illustrations; 24 cm.

Series Statement

Centre de physique, Les Houches ; 4

Uniform Title

Centre de physique des Houches (Series) ; 4.

Subjects

Bibliography (note)

Includes bibliographical references.

Contents

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.

ISBN

3540608699 (Springer-Verlag)
2868832636 (Les Editions de Physique)

OCLC

ocm34667247

Owning Institutions

Columbia University Libraries