Computational approaches to biochemical reactivity, v. 19.
- نوع فایل : کتاب
- زبان : انگلیسی
- مؤلف : Gábor Náray-Szabó; Arieh Warshel
- ناشر : New York : Kluwer Academic,
- چاپ و سال / کشور: 2002
- شابک / ISBN : 9780306469343
Description
Preface A. WARSHELand G. NءRAY-SZABس. . . . . . . . . . . . . 1. Quantum mechanical models for reactions in solution J. TOMASI, B. MENNUCCI, R. CAMMI and M. COSSI . . . . . . . 2. Free energy perturbation calculations within quantum mechanical methodologies R.V. STANTON, S.L. DIXON and K.M. MERZ, JR. . . . . . . . . . 3. Hybrid potentials for molecular systems in the condensed phase M.J. FIELD. . . . . . . . . . . . . . . . . . . . 4. Molecular mechanics and dynamics simulations of enzymes R.H. STOTE, A. DEJAEGERE, M.KARPLUS. . . . . . . . . . 5. Electrostatic interactions in proteins K.A. SHARP. . . . . . . . . . . . . . . . . . . . 6. Electrostatic basis of enzyme catalysis G. NءRAY-SZABس, M. FUXREITER and A. WARSHEL. . . . . . . 7. On the mechanisms of proteinases A . GOLDBLUM. . . . . . . . . . . . . . . . . . . 8. Modelling of proton transfer reactions in enzymes J . إQVIST. . . . . . . . . . . . . . . . . . . . 9. Protein-ligand interactions T.P. LYBRAND . . . . . . . . . . . . . . . . . . . Subject index . . . . . . . . . . . . . . . . . . . . vii . 1 103 125 153 199 237 295 341 363 375
