共 50 条
- [1] DATABASE SEARCHING ON THE BASIS OF 3-DIMENSIONAL MOLECULAR SIMILARITY USING THE SPERM PROGRAMJOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1992, 32 (06): : 607 - 616PERRY, NCVANGEERESTEIN, VJ
- [2] Similarity searching in files of three-dimensional chemical structures: Analysis of the BIOSTER database using two-dimensional fingerprints and molecular field descriptorsJOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2000, 40 (02): : 295 - 307Schuffenhauer, AGillet, VJWillett, P
- [3] Similarity searching in files of three-dimensional chemical structures: Representation and searching of molecular electrostatic potentials using field-graphsJournal of Computer-Aided Molecular Design, 1997, 11 : 163 - 174David A. ThornerPeter WillettP. Matthew WrightRobin Taylor
- [4] Similarity searching in files of three-dimensional chemical structures: Representation and searching of molecular electrostatic potentials using field-graphsJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1997, 11 (02) : 163 - 174Thorner, DAWillett, PWright, PMTaylor, R
- [5] Impact of conformational flexibility on three-dimensional similarity searching using correlation vectorsJOURNAL OF CHEMICAL INFORMATION AND MODELING, 2006, 46 (06) : 2324 - 2332Renner, SteffenSchwab, Christof H.Gasteiger, JohannSchneider, Gisbert
- [7] Pharmacophore modeling and three-dimensional database searching for drug design using catalystCURRENT MEDICINAL CHEMISTRY, 2001, 8 (09) : 1035 - 1055Kurogi, YGüner, OF
- [8] Similarity searching in files of three-dimensional chemical structures: Flexible field-based searching of molecular electrostatic potentialsJOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1996, 36 (04): : 900 - 908Thorner, DAWild, DJWillett, PWright, PM
- [9] Three-Dimensional Similarity in Molecular Docking: Prioritizing Ligand Poses on the Basis of Experimental Binding ModesJOURNAL OF CHEMICAL INFORMATION AND MODELING, 2016, 56 (03) : 580 - 587Anighoro, AndrewBajorath, Juergen
- [10] Pruned receptor surface models and pharmacophores for three-dimensional database searchingJOURNAL OF MEDICINAL CHEMISTRY, 2004, 47 (15) : 3777 - 3787Sutherland, JJO'Brien, LAWeaver, DF