Quantum Mechanical Simulation Methods for Studying Biological Systems Les Houches Workshop, May 2–7, 1995
It is now generally agreed that a deeper understanding of biological processes requires a multi-disciplinary approach employing the tools of biology, chemistry, and physics. Such understanding involves study of biomacromolecules and their functions, which includes how they interact, their reactions,...
| Other Authors: | , |
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| Format: | eBook |
| Language: | English |
| Published: |
Berlin, Heidelberg
Springer Berlin Heidelberg
1996, 1996
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| Edition: | 1st ed. 1996 |
| Series: | Centre de Physique des Houches
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| Subjects: | |
| Online Access: | |
| Collection: | Springer Book Archives -2004 - Collection details see MPG.ReNa |
Table of Contents:
- Lecture 1 Density functional theory
- Lecture 2 Practical density functional approaches in chemistry and biochemistry
- Lecture 3 A quantum chemical view of the initial photochemical event in photosynthesis
- Lecture 4 Curve crossing in a protein: coupling of the elementary quantum process to motions of the protein
- Lecture 5 Quantum—classical molecular dynamics. Models and applications
- Lecture 6 Quantum dynamics simulation of a small quantum system embedded in a classical environment
- Lecture 7 A tubular view of electron transfer in azurin
- Lecture 8 Biological electron transfer: measurement, mechanism, engineering requirements
- Lecture 9 The photodetachment of an electron from a chloride ion in water studied by quantum molecular dynamics simulation
- Lecture 10 Quantum chemistry of in situ retinal: study of the spectral properties and dark adaptation of Bacteriorhodopsin
- Lecture 11 Towards an understanding of quantum factors in small ligand geminate recombination to heure proteins
- Lecture 12 A parallel direct SCF method for large molecular systems
- Lecture 13 Multigrid electrostatic computations in density functional theory
- Lecture 14 Symmetry-oriented research of polymers PC program POLSym and DNA.