Searching for geometric molecular shape complementarity using bidimensional surface profiles

Journal of Molecular Graphics - Tập 10 - Trang 205-211 - 1992
Anne Badel1, Jean Paul Mornon2, Serge Hazout1
1Unité de Recherches Biomathématiques et Biostatistiques, Université Paris 7, Paris, France
2Laboratoire de Minéralogie-Cristallographie, Université Paris 6, Paris, France

Tài liệu tham khảo

Pauling, 1944 Cherfils, 1988, MANOSK: a graphics program for analysing and modeling molecular structure and functions, J. Mol. Graph., 6, 155, 10.1016/0263-7855(88)80068-7 Voorintholt, 1989, A very fast program for visualizing protein surfaces, channels and cavities, J. Mol. Graph., 7, 243, 10.1016/0263-7855(89)80010-4 Vriend, 1990, WHAT IF: a molecular modeling and drug design program, J. Mol. Graph., 8, 52, 10.1016/0263-7855(90)80070-V Lee, 1985, Molecular recognition I: automatic identification of topographic surface features, Biopolymers, 24, 1613, 10.1002/bip.360240814 Goodsell, 1990, Automated docking of substrates to protein by simulated annealing, Proteins, 8, 195, 10.1002/prot.340080302 Åqvist, 1987, Surface fractality as a guide for studying protein-protein interactions, J. Mol. Graph., 5, 30, 10.1016/0263-7855(87)80042-5 Connolly, 1986, Measurement of protein surface shape by solid angles, J. Mol. Graph., 4, 3, 10.1016/0263-7855(86)80086-8 Connolly, 1986, Shape complementarity at the Hemoglobin α1β1 subunit interface, Biopolymers, 25, 1229, 10.1002/bip.360250705 Kuntz, 1982, A geometric approach to macromolecule-ligand interactions, J. Mol. Biol., 161, 269, 10.1016/0022-2836(82)90153-X Colloc'h, 1990, A new tool for the qualitative and quantitative analysis of protein surfaces using B-spline and density of surface neighborhood, J. Mol. Graph., 8, 133, 10.1016/0263-7855(90)80053-I Leicester, 1988, Description of molecular surface shape using Fourier descriptors, J. Mol. Graph., 6, 104, 10.1016/0263-7855(88)85008-2 Chirgadze, 1989, Molecular cartography of proteins: surface relief analysis of the calf eye lens protein gamma-crystallin, Protein Engineering, 3, 105, 10.1093/protein/3.2.105 Fanning, 1986, Molecular cartography of globular proteins with application to antigenic sites, Biopolymers, 25, 863, 10.1002/bip.360250509 Dean, 1988, Molecular recognition: blind-searching for regions of strong structural match on the surfaces of two dissimilar molecules, J. Mol. Graph., 6, 28, 10.1016/0263-7855(88)80055-9 Connolly, 1983, Analytical molecular surface calculation, J. Appl. Cryst., 16, 548, 10.1107/S0021889883010985