Fast computation, rotation, and comparison of low resolution spherical harmonic molecular surfaces
暂无分享,去创建一个
[1] P. Bladon. A rapid method for comparing and matching the spherical parameter surfaces of molecules and other irregular objects. , 1989, Journal of molecular graphics.
[2] E. Katchalski‐Katzir,et al. Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniques. , 1992, Proceedings of the National Academy of Sciences of the United States of America.
[3] J. A. Grant,et al. A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape , 1996, J. Comput. Chem..
[4] Zhengwei Su,et al. Rotation of real spherical harmonics , 1994 .
[5] R. Nussinov,et al. Molecular recognition via face center representation of a molecular surface. , 1996, Journal of Molecular Graphics.
[6] L. Biedenharn. Angular momentum in quantum physics , 1981 .
[7] E. Hobson. The Theory of Spherical and Ellipsoidal Harmonics , 1955 .
[8] Steve Leicester,et al. A quantitative representation of molecular surface shape. II: Protein classification using Fourier shape descriptors and classical scaling , 1994 .
[9] Kenneth G. Libbrecht. Practical considerations for the generation of large-order spherical harmonics , 1985 .
[10] A. Olson,et al. Approximation and characterization of molecular surfaces , 1993, Biopolymers.
[11] A Tramontano,et al. PUZZLE: a new method for automated protein docking based on surface shape complementarity. , 1994, Journal of molecular biology.
[12] Nelson L. Max,et al. Spherical harmonic molecular surfaces , 1988, IEEE Computer Graphics and Applications.
[13] Michael L. Connolly,et al. Molecular surface Triangulation , 1985 .
[14] P. Dean,et al. Molecular recognition: 3d surface structure comparison by gnomonic , 1987 .
[15] B S Duncan,et al. Approximation and visualization of large-scale motion of protein surfaces. , 1995, Journal of molecular graphics.
[16] Robert Bywater,et al. Description of molecular surface shape using Fourier descriptors , 1988 .
[17] H. Wolfson,et al. Molecular surface complementarity at protein-protein interfaces: the critical role played by surface normals at well placed, sparse, points in docking. , 1995, Journal of molecular biology.
[18] B. Lee,et al. The interpretation of protein structures: estimation of static accessibility. , 1971, Journal of molecular biology.
[19] Mark Gerstein,et al. A resolution-sensitive procedure for comparing protein surfaces and its application to the comparison of antigen-combining sites , 1992 .
[20] D Fischer,et al. Molecular surface representations by sparse critical points , 1994, Proteins.
[21] B. Bush,et al. Macromolecular shape and surface maps by solvent exclusion. , 1978, Proceedings of the National Academy of Sciences of the United States of America.
[22] M. Sternberg,et al. Modelling protein docking using shape complementarity, electrostatics and biochemical information. , 1997, Journal of molecular biology.
[23] G J Williams,et al. The Protein Data Bank: a computer-based archival file for macromolecular structures. , 1977, Journal of molecular biology.
[24] B D Silverman,et al. Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition. , 1996, Journal of medicinal chemistry.
[25] Ralph A. Wiggins,et al. Evaluation of computational algorithms for the Associated Legendre Polynomials by interval analysis , 1971, Bulletin of the Seismological Society of America.
[26] Guido Gerig,et al. Parametrization of Closed Surfaces for 3-D Shape Description , 1995, Comput. Vis. Image Underst..
[27] M. L. Connolly. Solvent-accessible surfaces of proteins and nucleic acids. , 1983, Science.
[28] M. L. Connolly. Analytical molecular surface calculation , 1983 .
[29] M. L. Connolly. Shape complementarity at the hemoglobin α1β1 subunit interface , 1986 .
[30] Stefan M. Kast,et al. Self‐Similarity of solvent‐accessible surfaces of biological and synthetical macromolecules , 1993, J. Comput. Chem..
[31] P Finn,et al. Molecular surface comparison: application to drug design. , 1993, Journal of molecular graphics.
[32] F M Richards,et al. Areas, volumes, packing and protein structure. , 1977, Annual review of biophysics and bioengineering.
[33] M. L. Connolly. Measurement of protein surface shape by solid angles , 1986 .
[34] S. Kim,et al. "Soft docking": matching of molecular surface cubes. , 1991, Journal of molecular biology.
[35] R. Bywater,et al. A quantitative representation of molecular surface shape. I: Theory and development of the method , 1994 .
[36] G. Rose,et al. Molecular recognition. I. Automatic identification of topographic surface features , 1985, Biopolymers.
[37] J. Janin,et al. Computer analysis of protein-protein interaction. , 1978, Journal of molecular biology.
[38] A. Olson,et al. Texture mapping parametric molecular surfaces. , 1995, Journal of molecular graphics.
[39] Chris Sander,et al. The double cubic lattice method: Efficient approaches to numerical integration of surface area and volume and to dot surface contouring of molecular assemblies , 1995, J. Comput. Chem..