The use of scoring functions in drug discovery applications

[1] ICM - A NEW METHOD FOR PROTEIN MODELING AND DESIGN - APPLICATIONS TO DOCKING AND STRUCTURE PREDICTION FROM THE DISTORTED NATIVE CONFORMATION [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1994, 15 (05) : 488 - 506

[2] Computational methods to predict binding free energy in ligand-receptor complexes [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1995, 38 (26) : 4953 - 4967

[3] FUNCTIONAL-GROUP CONTRIBUTIONS TO DRUG RECEPTOR INTERACTIONS [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1984, 27 (12) : 1648 - 1657

[4] Apostolakis J, 1998, J COMPUT CHEM, V19, P21, DOI 10.1002/(SICI)1096-987X(19980115)19:1<21::AID-JCC2>3.0.CO

[5] 2-0

[6] NEW METHOD FOR PREDICTING BINDING-AFFINITY IN COMPUTER-AIDED DRUG DESIGN [J]. PROTEIN ENGINEERING, 1994, 7 (03): : 385 - 391

[7] Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase [J]. JOURNAL OF MOLECULAR BIOLOGY, 2001, 306 (02) : 307 - 327

[8] Molecular recognition of protein-ligand complexes: Applications to drug design [J]. CHEMICAL REVIEWS, 1997, 97 (05) : 1359 - 1472

[9] High-throughput chemistry and structure-based design: survival of the smartest [J]. DRUG DISCOVERY TODAY, 2001, 6 (02) : 57 - 59

[10] Baxter CA, 1998, PROTEINS, V33, P367, DOI 10.1002/(SICI)1097-0134(19981115)33:3<367::AID-PROT6>3.3.CO

[1] ICM - A NEW METHOD FOR PROTEIN MODELING AND DESIGN - APPLICATIONS TO DOCKING AND STRUCTURE PREDICTION FROM THE DISTORTED NATIVE CONFORMATION [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1994, 15 (05) : 488 - 506

[2] Computational methods to predict binding free energy in ligand-receptor complexes [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1995, 38 (26) : 4953 - 4967

[3] FUNCTIONAL-GROUP CONTRIBUTIONS TO DRUG RECEPTOR INTERACTIONS [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1984, 27 (12) : 1648 - 1657

[4] Apostolakis J, 1998, J COMPUT CHEM, V19, P21, DOI 10.1002/(SICI)1096-987X(19980115)19:1<21::AID-JCC2>3.0.CO

[5] 2-0

[6] NEW METHOD FOR PREDICTING BINDING-AFFINITY IN COMPUTER-AIDED DRUG DESIGN [J]. PROTEIN ENGINEERING, 1994, 7 (03): : 385 - 391

[7] Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase [J]. JOURNAL OF MOLECULAR BIOLOGY, 2001, 306 (02) : 307 - 327

[8] Molecular recognition of protein-ligand complexes: Applications to drug design [J]. CHEMICAL REVIEWS, 1997, 97 (05) : 1359 - 1472

[9] High-throughput chemistry and structure-based design: survival of the smartest [J]. DRUG DISCOVERY TODAY, 2001, 6 (02) : 57 - 59

[10] Baxter CA, 1998, PROTEINS, V33, P367, DOI 10.1002/(SICI)1097-0134(19981115)33:3<367::AID-PROT6>3.3.CO