Quantum mechanical simulation methods for studying biological systems : Les Houches Workshop, May 2-7, 1995 /
| Otros Autores: | , |
|---|---|
| Formato: | Libro |
| Idioma: | Inglés |
| Publicado: |
Berlin : Les Ulis :
Springer-Verlag ; Les Editions de Physique,
c1996.
|
| Colección: | Centre de physique des Houches ;
4 |
| Materias: |
Tabla de Contenidos:
- Density functional theory / N.C. Handy
- Practical density functional approaches in chemistry and biochemistry / A. St-Amant
- A quantum chemical view of the initial photochemical event in photosynthesis / M.C. Zerner
- Curve crossing in a protein : coupling of the elementary quantum process to motions of the protein / K. Schulten
- Quantum-classical molecular dynamics : models and applications / P. Bala ... [et al.]
- Quantum dynamics simulation of a small quantum system embedded in a classical environment / H.J.C. Berendsen and J. Mavri
- A tubular view of electron transfer in azurin / J.J. Regan and J.N. Onuchic
- Biological electron transfer : measurement, mechanism, engineering requirements / C.C. Moser and P.L. Dutton
- The photodetachment of an electron from a chloride ion in water studied by quantum molecular dynamics simulation / A. Staib and D. Borgis
- Quantum chemistry of in situ retinal : study of the spectral properties and dark adaptation of Bacteriorhodopsin / I. Logunov and K. Schulten
- Towards an understanding of quantum factors in small ligand geminate recombination to heme proteins / W. Nowak and J.-L. Martin
- A parallel direct SCF method for large molecular systems / T.R. Furlani and H.F. King
- Multigrid electrostatic computations in density functional theory / M.P. Merrick, K.A. Iyer and T.L. Beck
- Symmetry-oriented research of polymers PC program POLSym and DNA / L. Milosevic, A. Damjanovic and M. Damnjanovic.