-
1
-
-
0026730489
-
"Structure-based strategies for drug design and discovery,"
-
vol. 257, pp. 1078-1082, 1992.
-
I. D. Kuntz, "Structure-based strategies for drug design and discovery," Science, vol. 257, pp. 1078-1082, 1992.
-
Science
-
-
Kuntz, I.D.1
-
2
-
-
0020491251
-
"A geometric approach to macromolecular-ligand interactions,"
-
vol. 161, pp. 269-288, 1982.
-
I. D. Kuntz, J. M. Blaney, S. J. Oatley, R. Langridge, and T. E. Ferrin, "A geometric approach to macromolecular-ligand interactions," J. Computat. Biol., vol. 161, pp. 269-288, 1982.
-
J. Computat. Biol.
-
-
Kuntz, I.D.1
Blaney, J.M.2
Oatley, S.J.3
Langridge, R.4
Ferrin, T.E.5
-
3
-
-
0041404869
-
"Genetic algorithms for docking of actinomycin D and deoxyguanosine molecules with comparison to the crystal structure of actinomycin D-deoxyguanosine complex,"
-
vol. 98, no. 29, pp. 7191-7200, 1994.
-
Y. L. Xiao and D. E. Williams, "Genetic algorithms for docking of actinomycin D and deoxyguanosine molecules with comparison to the crystal structure of actinomycin D-deoxyguanosine complex," J. Phys. Chem., vol. 98, no. 29, pp. 7191-7200, 1994.
-
J. Phys. Chem.
-
-
Xiao, Y.L.1
Williams, D.E.2
-
4
-
-
0025135112
-
"Automated docking of substrates to proteins by simulated annealing,"
-
vol. 8, pp. 195-202, 1990.
-
D. S. Goodsell and A. J. Olson, "Automated docking of substrates to proteins by simulated annealing," Proteins Structure Function and Genetics, vol. 8, pp. 195-202, 1990.
-
Proteins Structure Function and Genetics
-
-
Goodsell, D.S.1
Olson, A.J.2
-
5
-
-
0029062889
-
-
vol. 38, no. 3, pp. 466-472, 1995.
-
C. J. Sherman, R.C.Ogden, andS. T. Freer, "De Novo design of enzyme inhibitors by monte carlo ligand generation," J. Medicinal Chem., vol. 38, no. 3, pp. 466-472, 1995.
-
"De Novo Design of Enzyme Inhibitors by Monte Carlo Ligand Generation," J. Medicinal Chem.
-
-
Sherman, C.J.1
Freer, A.T.2
-
6
-
-
0030203970
-
"Evolutionary algorithms in computeraided molecular design," J
-
vol. 10, pp. 337-358, 1996.
-
D. E. Clark and D. R. Westhead, "Evolutionary algorithms in computeraided molecular design," J Computer-Aided Molecular Design, vol. 10, pp. 337-358, 1996.
-
Computer-Aided Molecular Design
-
-
Clark, D.E.1
Westhead, D.R.2
-
7
-
-
0029283717
-
"Flexible ligand docking using a genetic algorithm,"
-
vol. 9, pp. 113-130, 1995.
-
C. M. Oshiro, I. D. Kuntz, and J. S. Dixon, "Flexible ligand docking using a genetic algorithm," J. Computer-Aided Molecular Design, vol. 9, pp. 113-130, 1995.
-
J. Computer-Aided Molecular Design
-
-
Oshiro, C.M.1
Kuntz, I.D.2
Dixon, J.S.3
-
8
-
-
84986435824
-
"Docking flexible molecules: A case study of three proteins,"
-
vol. 16, no. 11, pp. 1405-1419, 1995.
-
R. S. Judson, Y. N. Tan, E. Mori, C. Melius, E. P. Jaeger, A. M. Treasurywala, and A. Mathiowetz, "Docking flexible molecules: A case study of three proteins," J. Computat. Chem., vol. 16, no. 11, pp. 1405-1419, 1995.
-
J. Computat. Chem.
-
-
Judson, R.S.1
Tan, Y.N.2
Mori, E.3
Melius, C.4
Jaeger, E.P.5
Treasurywala, A.M.6
Mathiowetz, A.7
-
9
-
-
33747291202
-
-
D. E. Goldberg, Genetic Algorithms in Search, Optimization and Machine Learning. Reading, MA, USA: Addison-Wesley, 1989.
-
Genetic Algorithms in Search, Optimization and Machine Learning. Reading, MA, USA: Addison-Wesley, 1989.
-
-
Goldberg, D.E.1
-
12
-
-
21744438068
-
"Applying family competition to evolution strategies for constrained optimization," in
-
vol. 1213, P. J. Angeline, R. G. Reynolds, J. R. McDonnell, and R. Eberhart, Eds., 1997, pp. 201-211.
-
J.-M. Yang, Y.-P. Chen, J.-T. Horng, and C.-Y Kao, "Applying family competition to evolution strategies for constrained optimization," in Proc. 6th Annu. Conf. on Evolutionary Programming (Lecture Notes in Computer Science, vol. 1213), vol. 1213, P. J. Angeline, R. G. Reynolds, J. R. McDonnell, and R. Eberhart, Eds., 1997, pp. 201-211.
-
Proc. 6th Annu. Conf. on Evolutionary Programming (Lecture Notes in Computer Science, Vol. 1213)
-
-
Yang, J.-M.1
Chen, Y.-P.2
Horng, J.-T.3
Kao, C.-Y.4
-
13
-
-
0002640807
-
"Integrating adaptive mutations and family competition into genetic algorithms as function optimizer,"
-
vol. 4, no. 2, pp. 89-102, 2000.
-
J.-M. Yang and C.-Y. Kao, "Integrating adaptive mutations and family competition into genetic algorithms as function optimizer," Soft Computing, vol. 4, no. 2, pp. 89-102, 2000.
-
Soft Computing
-
-
Yang, J.-M.1
Kao, C.-Y.2
-
15
-
-
0031634074
-
"A new evolutionary approach to developing neural autonomous agents," in
-
1998, pp. 1411-1416.
-
J.-M. Yang, C.-Y. Kao, and J.-T. Horng, "A new evolutionary approach to developing neural autonomous agents," in IEEE Int. Conf. on Robotics and Automation, 1998, pp. 1411-1416.
-
IEEE Int. Conf. on Robotics and Automation
-
-
Yang, J.-M.1
Kao, C.-Y.2
Horng, J.-T.3
-
16
-
-
0029011701
-
"A second generation force field for the simulation of proteins and nucleic acids,"
-
vol. 117, pp. 5179-5197, 1995.
-
W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. J. Merz, D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, and P. A. Kollman, "A second generation force field for the simulation of proteins and nucleic acids," J. Amer. Chem. Soc.. vol. 117, pp. 5179-5197, 1995.
-
J. Amer. Chem. Soc..
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.J.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
17
-
-
0021757436
-
"A new force field for molecular mechanical simulation of nucleic acids and proteins,"
-
vol. 106, pp. 765-784, 1984.
-
S. J. Weiner, P. A. Kollman, D. A. Case, U. C. Singh, C. Ohio, G. Alagona, P. S. Jr., and P. Weiner, "A new force field for molecular mechanical simulation of nucleic acids and proteins," J. Amer. Chem. Soc.. vol. 106, pp. 765-784, 1984.
-
J. Amer. Chem. Soc..
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ohio, C.5
Alagona, G.6
Weiner, P.7
-
18
-
-
84988053694
-
"An all atom force field for simulations of proteins and nucleic acids,"
-
vol. 7, pp. 266-278, 1986.
-
S. J. Weiner, P. A. Kollman, D. T. Nguyen, and D. A. Case, "An all atom force field for simulations of proteins and nucleic acids," J. Computat. Chem., vol. 7, pp. 266-278, 1986.
-
J. Computat. Chem.
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
19
-
-
0029705951
-
"Results of the first international content on evolutionary optimization (1st ICEO)," in
-
1996, pp. 611-614.
-
H. Bersini, M. Dorigo, S. Langerman, G. Seront, and L. Gambardella, "Results of the first international content on evolutionary optimization (1st ICEO)," in P roc. IEEE Int. Conf. on Evolutionary Computation, 1996, pp. 611-614.
-
P Roc. IEEE Int. Conf. on Evolutionary Computation
-
-
Bersini, H.1
Dorigo, M.2
Langerman, S.3
Seront, G.4
Gambardella, L.5
-
20
-
-
84988103815
-
"Computer graphics and drug design: Real time docking, energy calculation and minimization,"
-
vol. 6, pp. 432-4136, 1985.
-
N. Pattabiraman, M. Levitt, T. E. Ferrin, and R. Langridge, "Computer graphics and drug design: Real time docking, energy calculation and minimization," J. Computat. Chem., vol. 6, pp. 432-4136, 1985.
-
J. Computat. Chem.
-
-
Pattabiraman, N.1
Levitt, M.2
Ferrin, T.E.3
Langridge, R.4
-
21
-
-
0003094708
-
"A survey of evolution strategies," in
-
1991, pp. 2-9.
-
T. Back, F. Hoffmeister, and H.-P. Schwefel, "A survey of evolution strategies," in Proc. Fourth Int. Conf. on Genetic Algorithms, 1991, pp. 2-9.
-
Proc. Fourth Int. Conf. on Genetic Algorithms
-
-
Back, T.1
Hoffmeister, F.2
Schwefel, H.-P.3
-
22
-
-
0000308566
-
"Real-coded genetic algorithms and interval-schemata," in
-
2, L. D. Whitley, Ed. San Mateo, CA: Morgan Kaufmann, 1993, pp. 187-202.
-
L. J. Eshelman and J. D. Schaffer, "Real-coded genetic algorithms and interval-schemata," in Foundation of Genetic Algorithms 2, L. D. Whitley, Ed. San Mateo, CA: Morgan Kaufmann, 1993, pp. 187-202.
-
Foundation of Genetic Algorithms
-
-
Eshelman, L.J.1
Schaffer, J.D.2
-
23
-
-
84986492468
-
"Flexible ligand docking without parameter adjustment across four ligand-receptor complexes,"
-
vol. 16, no. 10, pp. 1210-1226, 1995.
-
K. P. Clark and Ajay, "Flexible ligand docking without parameter adjustment across four ligand-receptor complexes," J. Computat. Chem., vol. 16, no. 10, pp. 1210-1226, 1995.
-
J. Computat. Chem.
-
-
Clark, K.P.1
-
24
-
-
0003140039
-
"Predictive models for the breeder genetic algorithm I. continuous parameters optimization,"
-
vol. 1, no. 1, pp. 24-419, 1993.
-
H. Mühlenbein and D. Schlierkamp-Voosen, "Predictive models for the breeder genetic algorithm I. continuous parameters optimization," Evolutionary Computation, vol. 1, no. 1, pp. 24-419, 1993.
-
Evolutionary Computation
-
-
Mühlenbein, H.1
Schlierkamp-Voosen, D.2
-
25
-
-
11644261806
-
"Automated docking using a larmackian genetic algorithm and empirical binding free energy function,"
-
vol. 19, pp. 1639-1662, 1998.
-
G. M. Morris, D. S. Goodsell, R. S. Halliday, R. Huey, W. E. Hart, R. K. Belew, and A. J. Olson, "Automated docking using a larmackian genetic algorithm and empirical binding free energy function," J. Computat. Chem., vol. 19, pp. 1639-1662, 1998.
-
J. Computat. Chem.
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
26
-
-
33747830726
-
"A continuous genetic algorithm for global optimization," in
-
1997, pp. 230-237.
-
J.-M. Yang, C.-Y. Kao, and J.-T. Horng, "A continuous genetic algorithm for global optimization," in Proc. Seventh Int. Conf. on Genetic Algorithms, 1997, pp. 230-237.
-
Proc. Seventh Int. Conf. on Genetic Algorithms
-
-
Yang, J.-M.1
Kao, C.-Y.2
Horng, J.-T.3
-
27
-
-
84955615829
-
"Fast evolution strategies," in
-
6th Annu. Conf. on Evolutionary Programming (Lecture Notes in Computer Science, vol. 1213), P. J. Angeline, R. G. Reynolds, J. R. McDonnell, and R. Eberhart, Eds., 1997, pp. 151-161.
-
X. Yao and Y Liu, "Fast evolution strategies," in Proc. 6th Annu. Conf. on Evolutionary Programming (Lecture Notes in Computer Science, vol. 1213), P. J. Angeline, R. G. Reynolds, J. R. McDonnell, and R. Eberhart, Eds., 1997, pp. 151-161.
-
Proc.
-
-
Yao, X.1
Liu, Y.2
-
28
-
-
0003206573
-
"Comparing evolutionary programs and evolutionary pattern search algorithms: A drug docking application," in
-
99, 1999.
-
W. E. Hart, "Comparing evolutionary programs and evolutionary pattern search algorithms: A drug docking application," in Genetic and Evolutionary Computation Conf. (GECCO-99), 1999.
-
Genetic and Evolutionary Computation Conf. GECCO
-
-
Hart, W.E.1
-
29
-
-
84955617910
-
"Multi-operator evolutionary programming: A preliminary on function optimization," in
-
6th Annu. Conf. on Evolutionary Programming (Lecture Notes in Computer Science, vol. 1213), P. J. Angeline etal, Eds., 1997, pp. 215-222.
-
N. Saravanan and D. B. Fogel, "Multi-operator evolutionary programming: A preliminary on function optimization," in Proc. 6th Annu. Conf. on Evolutionary Programming (Lecture Notes in Computer Science, vol. 1213), P. J. Angeline etal, Eds., 1997, pp. 215-222.
-
Proc.
-
-
Saravanan, N.1
Fogel, D.B.2
-
31
-
-
0029294584
-
"Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: Conformationally flexible docking by evolutionary programming,"
-
vol. 2, no. 5, pp. 317-324, 1995.
-
D. K. Gehlhaar, G. M. Verkhivker, P. Rejto, C. J. Sherman, D. B. Fogel, L. J. Fogel, and S. T. Freer, "Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: Conformationally flexible docking by evolutionary programming," Chem. Biol., vol. 2, no. 5, pp. 317-324, 1995.
-
Chem. Biol.
-
-
Gehlhaar, D.K.1
Verkhivker, G.M.2
Rejto, P.3
Sherman, C.J.4
Fogel, D.B.5
Fogel, L.J.6
Freer, S.T.7
-
32
-
-
0020378492
-
"Receptor-based design of dihydrofolate reductase inhibitors: Comparison of crystallgraphically determined enzyme binding with enzyme affinity in a series of carboxy-substituted trimethoprim analogues,"
-
1120-1122, 1982.
-
L. Kuyper, "Receptor-based design of dihydrofolate reductase inhibitors: Comparison of crystallgraphically determined enzyme binding with enzyme affinity in a series of carboxy-substituted trimethoprim analogues," J. Med. Chem., pp. 1120-1122, 1982.
-
J. Med. Chem., Pp.
-
-
Kuyper, L.1
-
33
-
-
0018074976
-
"Dihydrofolate reductase from lactobacillus casei: X-ray structure of the enzyme methotrexate nadph complex," J. Biolog. Chem
-
vol. 253, no. 19, pp. 6946-6954, 1978.
-
D. A. Matthews etal., "Dihydrofolate reductase from lactobacillus casei: X-ray structure of the enzyme methotrexate nadph complex," J. Biolog. Chem., vol. 253, no. 19, pp. 6946-6954, 1978.
-
Etal.
-
-
Matthews, D.A.1
|