Crossref
journal-article
Springer Science and Business Media LLC
Journal of Computer-Aided Molecular Design (297)
References
54
Referenced
21
- Blakley, R.L., In Blakley, R.L. and Benkovic, S.J. (Eds.) Folates and Pterins-Chemistry and Biochemistry of Folates, Vol. 1, Wiley, New York, 1984, pp. 191?253. / Folates and Pterins-Chemistry and Biochemistry of Folates, Vol. 1 by R.L. Blakley (1984)
- Kraut, J. and Matthews, D.A., In Jurnak, F.A. and McPherson, A. (Eds.) Biological Macromolecules and Assemblies, Vol. 3, Wiley, New York, 1987, pp. 1?72. / Biological Macromolecules and Assemblies, Vol. 3 by J. Kraut (1987)
-
Thibault, V., Koen, M.J. and Gready, J.E., Biochemistry 28 (1989) 6042.
(
10.1021/bi00440a048
) / Biochemistry by V. Thibault (1989) - Gready, J.E., In Curtius, H.-Ch., Ghisla, S. and Blau, N. (Eds.) Chemistry and Biology of Pteridines 1989, de Gruyter, Berlin, 1990, pp. 23?30. / Chemistry and Biology of Pteridines 1989 by J.E. Gready (1990)
- Koen, M.J., Haynes, R.K., Gready, J.E. and Pilling, P.A., In Curtius, H.-Ch., Ghisla, S. and Blau, N. (Eds.) Chemistry and Biology of Pteridines 1989, de Gruyter, Berlin, 1990, pp. 94?97. / Chemistry and Biology of Pteridines 1989 by M.J. Koen (1990)
- Cummins, P.L. and Gready, J.E., Proteins: Struct. Funct. Genet., in press.
- Jeong, S.S., Wormell, P. and Gready, J.E., In Blau, N., Curtius, H.-Ch., Levine, R. and Yim, J. (Eds.) Pteridines and Related Biogenic Amines and Folates, Hanrim, Seoul, 1992, pp. 277?292. / Pteridines and Related Biogenic Amines and Folates by S.S. Jeong (1992)
- Gready, J.E., Ivery, M.T.G., Koen, M.J. and Yang, H.J., In Blau, N., Curtius, H.-Ch., Levine, R. and Yim, J. (Eds.) Pteridines and Related Biogenic Amines and Folates, Hanrim, Seoul, 1992, pp. 265?276. / Pteridines and Related Biogenic Amines and Folates by J.E. Gready (1992)
-
Koen, M.J. and Gready, J.E., J. Org. Chem., 58 (1993) 1104.
(
10.1021/jo00057a023
) / J. Org. Chem. by M.J. Koen (1993) -
Gready, J.E., J. Comput. Chem., 6 (1985) 377.
(
10.1002/jcc.540060507
) / J. Comput. Chem. by J.E. Gready (1985) -
Gready, J.E., Biochemistry 24 (1985) 4761.
(
10.1021/bi00339a008
) / Biochemistry by J.E. Gready (1985) -
Williams, M.L. and Gready, J.E., J. Comput. Chem., 10 (1989) 35.
(
10.1002/jcc.540100105
) / J. Comput. Chem. by M.L. Williams (1989) -
Jordan, M.J. and Gready, J.E., J. Comput. Chem. 10 (1989) 186.
(
10.1002/jcc.540100206
) / J. Comput. Chem. by M.J. Jordan (1989) -
Brown, D.J. and Jacobsen, N.W., J. Chem. Soc., (1961) 4413.
(
10.1039/jr9610004413
) - Pfleiderer, W., In Blakley, R.L. and Benkovic, S.J. (Eds.) Folates and Pterins-Chemistry and Biochemistry of Pterins, Vol. 2, Wiley, New York, 1985, pp. 43?114. / Folates and Pterins-Chemistry and Biochemistry of Pterins, Vol. 2 by W. Pfleiderer (1985)
- Gready, J.E., to be published.
-
Stone, S.R., Montgomery, J.A. and Morrison, J.F., Biochem. Pharmacol., 33 (1984) 175.
(
10.1016/0006-2952(84)90472-6
) / Biochem. Pharmacol. by S.R. Stone (1984) -
Davies, J.F., Delcamp, T.J., Prendergast, N.J., Ashford, V.A., Freisheim, J.H. and Kraut, J., Biochemistry, 29 (1990) 9467.
(
10.1021/bi00492a021
) / Biochemistry by J.F. Davies (1990) - Ivery, M.T.G. and Gready, J.E., In Ayling, J.E., Nair, M.G. and Baugh, C.M. (Eds.) Chemistry and Biology of Pteridines and Folates, Plenum Press, New York, 1993, in press. / Chemistry and Biology of Pteridines and Folates by M.T.G. Ivery (1993)
-
Tembe, B.L. and McCammon, J.A., Comput. Chem., 8, (1984) 281.
(
10.1016/0097-8485(84)85020-2
) / Comput. Chem. by B.L. Tembe (1984) -
Singh, U.C., Brown, F.K., Bash, P.A. and Kollman, P.A., J. Am. Chem. Soc., 109 (1987) 1607.
(
10.1021/ja00240a001
) / J. Am. Chem. Soc. by U.C. Singh (1987) -
Singh, U.C., Proc. Natl. Acad. Sci. USA, 85, (1988) 4280.
(
10.1073/pnas.85.12.4280
) / Proc. Natl. Acad. Sci. USA by U.C. Singh (1988) -
Singh, U.C. and Benkovic, S.J., Proc. Natl. Acad. Sci. USA, 85 (1988) 9519.
(
10.1073/pnas.85.24.9519
) / Proc. Natl. Acad. Sci. USA by U.C. Singh (1988) -
Brooks, C.L., Int. J. Quantum Chem. Quantum Biol. Symp., 15 (1988) 221.
(
10.1002/qua.560340720
) / Int. J. Quantum Chem. Quantum Biol. Symp. by C.L. Brooks (1988) -
Brooks, C.L., and Fleischman, S.H., J. Am. Chem. Soc., 112, (1990) 3307.
(
10.1021/ja00165a008
) / J. Am. Chem. Soc. by C.L. Brooks (1990) -
Fleischman, S.H. and Brooks, C.L., Proteins: Struct. Funct. Genet., 7 (1990) 52.
(
10.1002/prot.340070106
) / Proteins: Struct. Funct. Genet. by S.H. Fleischman (1990) -
McDonald, J.J. and Brooks, C.L., J. Am. Chem. Soc., 113 (1991) 2295.
(
10.1021/ja00006a058
) / J. Am. Chem. Soc. by J.J. McDonald (1991) -
Volz, K.W., Matthews, D.A., Alden, R.A., Freer, S.T., Hansch, C., Kaufman, B.T. and Kraut, J., J. Biol. Chem., 257 (1982) 2528.
(
10.1016/S0021-9258(18)34956-1
) / J. Biol. Chem. by K.W. Volz (1982) -
Matthews, D.A., Bolin, T.J., Burridge, J.M., Filman, D.J., Volz, K.N., Kaufman, B.T., Beddell, C.R., Champness, J.N., Stammers, D.K. and Kraut, J., J. Biol. Chem., 260 (1985) 381.
(
10.1016/S0021-9258(18)89743-5
) / J. Biol. Chem. by D.A. Matthews (1985) - Matthews, D.A., Oatley, S.J. and Kraut, J., unpublished results for clDHFR·NADP+·biopterin complex.
-
McTigue, M.A., DaviesII, J.F., Kaufman, B.T. and Kraut, J., Biochemistry, 31 (1992) 7264.
(
10.1021/bi00147a009
) / Biochemistry by M.A. McTigue (1992) -
VanGunsteren, W.F., Prot. Eng., 2 (1988) 5.
(
10.1093/protein/2.1.5
) / Prot. Eng. by W.F. Gunsteren Van (1988) - VanGunsteren, W.F., In vanGunsteren, W.F. and Weiner, P.K. (Eds.) Computer Simulation of Biomolecular Systems, ESCOM, Leiden, 1989, pp. 27?59. / Computer Simulation of Biomolecular Systems by W.F. Gunsteren Van (1989)
- Pettitt, B.M., In vanGunsteren, W.F. and Weiner, P.K. (Eds.) Computer Simulation of Biomolecular Systems, ESCOM, Leiden, 1989, pp. 94?100. / Computer Simulation of Biomolecular Systems by B.M. Pettitt (1989)
- Pearlman, D.A. and Kollman, P.A., In vanGunsteren, W.F. and Weiner, P.K. (Eds.) Computer Simulation of Biomolecular Systems, ESCOM, Leiden, 1989, pp. 101?119. / Computer Simulation of Biomolecular Systems by D.A. Pearlman (1989)
-
Pearlman, D.A. and Kollman, P.A., J. Am. Chem. Soc., 113 (1991) 7167.
(
10.1021/ja00019a012
) / J. Am. Chem. Soc. by D.A. Pearlman (1991) -
Weiner, S.J., Kollman, P.A., Nguyen, D.T. and Case, D.A., J. Comput. Chem., 7 (1986) 230.
(
10.1002/jcc.540070216
) / J. Comput. Chem. by S.J. Weiner (1986) -
Weiner, S.J., Kollman, P.A., Case, D.A., Singh, U.C., Ghio, C., Alagona, G., Profeta, S. and Weiner, P.K., J. Am. Chem. Soc., 106 (1984) 765.
(
10.1021/ja00315a051
) / J. Am. Chem. Soc. by S.J. Weiner (1984) -
Cummins, P.L., Ramnarayan, K., Singh, U.C. and Gready, J.E., J. Am. Chem. Soc., 113 (1991) 8247.
(
10.1021/ja00022a008
) / J. Am. Chem. Soc. by P.L. Cummins (1991) -
Jorgensen, W.L., Chandrasekhar, J., Madura, J.D., Impey, R.W. and Klein, M.L., J. Chem. Phys., 79 (1983) 926.
(
10.1063/1.445869
) / J. Chem. Phys. by W.L. Jorgensen (1983) -
Dewar, M.J.S., Zoebisch, E.G., Healy, E.F. and Stewart, J.J.P., J. Am. Chem. Soc., 107 (1985) 3902.
(
10.1021/ja00299a024
) / J. Am. Chem. Soc. by M.J.S. Dewar (1985) -
Cummins, P.L. and Gready, J.E., Chem. Phys. Lett., 174 (1990) 355.
(
10.1016/0009-2614(90)85358-J
) / Chem. Phys. Lett. by P.L. Cummins (1990) - Hagler, A.T., Maple, J.R., Thacher, T.S., Fitzgerald, G.B. and Dinur, U., In vanGunsteren, W.F. and Weiner, P.K. (Eds.) Computer Simulation of Biomolecular Systems, ESCOM, Leiden, 1989, pp. 149?167. / Computer Simulation of Biomolecular Systems by A.T. Hagler (1989)
-
Mezei, M. and Beveridge, D.L., Ann. N.Y. Acad. Sci., 482 (1986) 1.
(
10.1111/j.1749-6632.1986.tb20933.x
) / Ann. N.Y. Acad. Sci. by M. Mezei (1986) - Singh, U.C., Weiner, P.K., Caldwell, J.W. and Kollman, P.A., AMBER (Version 3.2), Department of Pharmaceutical Chemistry, University of California, San Francisco, CA, 1988. / AMBER (Version 3.2) by U.C. Singh (1988)
-
Rao, B.G. and Singh, U.C., J. Am. Chem. Soc., 111 (1989) 3125.
(
10.1021/ja00191a003
) / J. Am. Chem. Soc. by B.G. Rao (1989) -
VanGunsteren, W.F. and Berendsen, H.J.C., Mol. Phys., 34 (1977) 1311.
(
10.1080/00268977700102571
) / Mol. Phys. by W.F. Gunsteren Van (1977) -
Brooks, C.L., Brunger, A. and Karplus, M., Biopolymers, 24 (1985) 843.
(
10.1002/bip.360240509
) / Biopolymers by C.L. Brooks (1985) - This version of NEWTON has been locally modified to perform direct averaging of coordinates.
- Ferrin, T., Huang, C., Pettersen, E.F., Couch, G.S. and Jarvis, L., MidasPlus program, Computer Graphics Laboratory, University of California, San Francisco, CA, 1989. / MidasPlus program by T. Ferrin (1989)
-
Bystroff, C., Oatley, S.J. and Kraut, J., Biochemistry, 29, (1990) 3263.
(
10.1021/bi00465a018
) / Biochemistry by C. Bystroff (1990) -
Mezei, M., J. Comput. Phys., 68 (1987) 237.
(
10.1016/0021-9991(87)90054-4
) / J. Comput. Phys. by M. Mezei (1987) -
Solmajer, T. and Mehler, E.L., Prot. Eng. 4 (1991) 911.
(
10.1093/protein/4.8.911
) / Prot. Eng. by T. Solmajer (1991) -
Solmajer, T. and Mehler, E.L., Int. J. Quantum Chem., 44 (1992) 291.
(
10.1002/qua.560440215
) / Int. J. Quantum Chem. by T. Solmajer (1992)
Dates
Type | When |
---|---|
Created | 20 years, 9 months ago (Oct. 31, 2004, 6:47 a.m.) |
Deposited | 4 years, 2 months ago (June 27, 2021, 4:35 a.m.) |
Indexed | 1 year, 2 months ago (May 30, 2024, 7:38 p.m.) |
Issued | 31 years, 10 months ago (Oct. 1, 1993) |
Published | 31 years, 10 months ago (Oct. 1, 1993) |
Published Print | 31 years, 10 months ago (Oct. 1, 1993) |
@article{Cummins_1993, title={Computer-aided drug design: A free energy perturbation study on the binding of methyl-substituted pterins and N5-deazapterins to dihydrofolate reductase}, volume={7}, ISSN={1573-4951}, url={http://dx.doi.org/10.1007/bf00124361}, DOI={10.1007/bf00124361}, number={5}, journal={Journal of Computer-Aided Molecular Design}, publisher={Springer Science and Business Media LLC}, author={Cummins, Peter L. and Gready, Jill E.}, year={1993}, month=oct, pages={535–555} }