Computer-Based Approaches to Drug Design

作者: Philip Loftus , Marvin Waldman , Robert F. Hout

DOI: 10.1007/978-1-4612-4828-6_3

关键词:

摘要: Two major factors have influenced the dramatic growth in use of computer-modeling techniques as an integral aspect drug discovery process. The first these has been increased availability powerful, but relatively inexpensive, computer systems both academic and industrial research laboratories. This provided researchers with direct access to a level computational capacity that had previously available only on large prohibitively expensive mainframe computers. second important factor was high-speed, high-resolution, graphical display systems.

参考文章(48)
D.A. Matthews, R.A. Alden, J.T. Bolin, D.J. Filman, S.T. Freer, R. Hamlin, W.G. Hol, R.L. Kisliuk, E.J. Pastore, L.T. Plante, N. Xuong, J. Kraut, Dihydrofolate reductase from Lactobacillus casei. X-ray structure of the enzyme methotrexate.NADPH complex. Journal of Biological Chemistry. ,vol. 253, pp. 6946- 6954 ,(1978) , 10.1016/S0021-9258(17)38012-2
N.L. Eberhardt, J.C. Ring, K.R. Latham, J.D. Baxter, Thyroid hormone receptors. Alteration of hormone-binding specificity. Journal of Biological Chemistry. ,vol. 254, pp. 8534- 8539 ,(1979) , 10.1016/S0021-9258(19)86925-9
N.L. Allinger, Calculation of Molecular Structure and Energy by Force-Field Methods Advances in Physical Organic Chemistry. ,vol. 13, pp. 1- 82 ,(1976) , 10.1016/S0065-3160(08)60212-9
Merton Sandler, Enzyme Inhibitors as Drugs ,(1980)
D A Matthews, R A Alden, S T Freer, N Xuong, J Kraut, Dihydrofolate reductase from Lactobacillus caSci. Stereochemistry of NADPH binding. Journal of Biological Chemistry. ,vol. 254, pp. 4144- 4151 ,(1979) , 10.1016/S0021-9258(18)50708-0
C.C.F. Blake, M.J. Geisow, S.J. Oatley, B. Rérat, C. Rérat, Structure of prealbumin: secondary, tertiary and quaternary interactions determined by Fourier refinement at 1.8 A. Journal of Molecular Biology. ,vol. 121, pp. 339- 356 ,(1977) , 10.1016/0022-2836(78)90368-6
D.J. Baker, C.R. Beddell, J.N. Champness, P.J. Goodford, F.E.A. Norrington, D.R. Smith, D.K. Stammers, The binding of trimethoprim to bacterial dihydrofolate reductase FEBS Letters. ,vol. 126, pp. 49- 52 ,(1981) , 10.1016/0014-5793(81)81030-7
Kazuyuki Morihara, Hiroshige Tsuzuki, Thermolysin: kinetic study with oligopeptides. FEBS Journal. ,vol. 15, pp. 374- 380 ,(1970) , 10.1111/J.1432-1033.1970.TB01018.X
J. A. Pople, D. L. Beveridge, P. A. Dobosh, Approximate Self‐Consistent Molecular‐Orbital Theory. V. Intermediate Neglect of Differential Overlap The Journal of Chemical Physics. ,vol. 47, pp. 2026- 2033 ,(1967) , 10.1063/1.1712233