Selected References in Quantum Pharmacology
Note: Over the past five years, the role of molecular modeling, bioinformatics, and cheminfor-
matics in drug design has grown exponentially. Traditionally, these areas have not been discussed
in medicinal chemistry, and many students of medicinal chemistry have not taken background
courses in these areas. Accordingly, we have included a more comprehensive list of references.
GENERAL QUANTUM MECHANICS TEXTBOOKS
P. W. Atkins, R. S. Friedman (1997). Molecular Quantum Mechanics. Oxford: Oxford.
J. E. House (1998). Fundamentals of Quantum Mechanics. San Diego: Academic Press.
J. Simons, J. Nichols (1997). Quantum Mechanics in Chemistry. Oxford: Oxford.
A. Szabo, N. Ostlund (1996). Modern Quantum Chemistry. New York: Dover.
GENERAL COMPUTATIONAL CHEMISTRY TEXTBOOKS
T. Clark (1985). A Handbook of Computational Chemistry. New York: John Wiley.
D. B. Cook (1998). Handbook of Computational Quantum Chemistry. Oxford: Oxford.
F. Jensen (1999). Introduction to Computational Chemistry. New York: John Wiley.
A. R. Leach (1996). Molecular Modelling Principles and Applications. Essex: Longman.
D. C. Young (2001). Computational Chemistry. New York: John Wiley.
REVIEWS ON AB INITIO QUANTUM MECHANICS
J. Cioslowski (1993). Rev. Comput. Chem. 4: 1.
E. R. Davidson (1998). Encycl. Comput. Chem. 3: 1811.
S. Shaik (1998). Encycl. Comput. Chem. 5: 3143.
REVIEWS ON SEMI-EMPIRICAL QUANTUM MECHANICS
A. J. Holder (1998). Encycl. Comput. Chem. 1: 8 (Review on AM1).
K. Jug, F. Neumann (1998). Encycl. Comput. Chem. 1: 507.
J. J. P. Stewart (1998). Encycl. Comput. Chem. 3: 2080 (Review on PM3).
J. J. P. Stewart (1998). Encycl. Comput. Chem. 3: 2000.
W. Thiel (1996). Adv. Chem. Phys. 93: 703.
M. C. Zerner (1991). Rev. Comput. Chem. 2: 313.
REVIEWS ON MOLECULAR MECHANICS
N. L. Allinger (1998). Encycl. Comput. Chem. 2: 1013.
U. Burkert, N. Allinger (1982). Molecular Mechanics. Washington: American Chemical Society.
A. G. Csaszar (1998). Encycl. Comput. Chem. 1: 13.
P. Kollman (1987). Ann. Rev. Phys. Chem. 38: 303.
B. Reindl (1998). Encycl. Comput. Chem. 1: 196.
MOLECULAR DYNAMICS AND MONTE CARLO METHODS
P. Balbuena, J. Seminario (1999). Molecular Dynamics. Amsterdam: Elsevier.
D. L. Beveridge (1998). Encycl. Comput. Chem. 3: 1620.
R. A. Marcus (1997). Adv. Chem. Phys. 101: 391.
J. J. de Pablo, F. A. Escobedo (1998). Encycl. Comput. Chem. 3: 1763.
D. C. Rapaport (1997). The Art of Molecular Simulation. Cambridge: Cambridge.
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