Quantum mechanical simulation methods for studying biological systems : Les Houches Workshop, May 2-7, 1995 /
editors, Dominique Bicout, Martin Field.
- Berlin ; New York : Les Ulis : Cambridge, MA : Springer-Verlag ; Les Editions de Physique ; PCG Inc., c1996.
- xiv, 311 p. : ill. ; 24 cm.
- Centre de physique, Les Houches ; 4 .
- Centre de physique des Houches (Series) ; 4. .
Includes bibliographical references.
Density functional theory / Practical density functional approaches in chemistry and biochemistry / A quantum chemical view of the initial photochemical event in photosynthesis / Curve crossing in a protein: coupling of the elementary quantum process to motions of the protein / Quantum-classical molecular dynamics. Models and applications / Quantum dynamics simulation of a small quantum system embedded in a classical environment / A tubular view of electron transfer in azurin / Biological electron transfer: measurement, mechanism, engineering requirements / N. C. Handy -- A. St-Amant -- M. C. Zerner -- K. Schulten -- P. Bala, P. Grochowski, B. Lesyng and J. A. McCammon -- H. J. C. Berendsen and J. Mavri -- J. J. Regan and J. N. Onuchic -- C. C. Moser and P. L. Dutton -- Lecture 1. Lecture 2. Lecture 3. Lecture 4. Lecture 5. Lecture 6. Lecture 7. Lecture 8. The photodetachment of an electron from a chloride ion in water studied by quantum molecular dynamics simulation / Quantum chemistry of in situ retinal: study of the spectral properties and dark adaptation of Bacteriorhodopsin / Towards an understanding of quantum factors in small ligand geminate recombination to heme proteins / A parallel direct SCF method for large molecular systems / Multigrid electrostatic computations in density functional theory / Symmetry-oriented research of polymers PC program POLSym and DNA / A. Staib and D. Borgis -- I. Logunov and K. Schulten -- W. Nowak and J.-L. Martin -- T. R. Furlani and H. F. King -- M. P. Merrick, K. A. Iyer and T. L. Beck -- I. Milosevic, A. Damjanovic and M. Damnjanovic. Lecture 9. Lecture 10. Lecture 11. Lecture 12. Lecture 13. Lecture 14.
3540608699 (SpringerVerlag) 2868832636 (Les Editions de Physique)
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.
530.12 / QUA
Includes bibliographical references.
Density functional theory / Practical density functional approaches in chemistry and biochemistry / A quantum chemical view of the initial photochemical event in photosynthesis / Curve crossing in a protein: coupling of the elementary quantum process to motions of the protein / Quantum-classical molecular dynamics. Models and applications / Quantum dynamics simulation of a small quantum system embedded in a classical environment / A tubular view of electron transfer in azurin / Biological electron transfer: measurement, mechanism, engineering requirements / N. C. Handy -- A. St-Amant -- M. C. Zerner -- K. Schulten -- P. Bala, P. Grochowski, B. Lesyng and J. A. McCammon -- H. J. C. Berendsen and J. Mavri -- J. J. Regan and J. N. Onuchic -- C. C. Moser and P. L. Dutton -- Lecture 1. Lecture 2. Lecture 3. Lecture 4. Lecture 5. Lecture 6. Lecture 7. Lecture 8. The photodetachment of an electron from a chloride ion in water studied by quantum molecular dynamics simulation / Quantum chemistry of in situ retinal: study of the spectral properties and dark adaptation of Bacteriorhodopsin / Towards an understanding of quantum factors in small ligand geminate recombination to heme proteins / A parallel direct SCF method for large molecular systems / Multigrid electrostatic computations in density functional theory / Symmetry-oriented research of polymers PC program POLSym and DNA / A. Staib and D. Borgis -- I. Logunov and K. Schulten -- W. Nowak and J.-L. Martin -- T. R. Furlani and H. F. King -- M. P. Merrick, K. A. Iyer and T. L. Beck -- I. Milosevic, A. Damjanovic and M. Damnjanovic. Lecture 9. Lecture 10. Lecture 11. Lecture 12. Lecture 13. Lecture 14.
3540608699 (SpringerVerlag) 2868832636 (Les Editions de Physique)
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.
530.12 / QUA