Using Protochirons for Three-Dimensional Coding of Certain Chemical Structures
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[1] Ernesto Estrada. Characterization of 3D molecular structure , 2000 .
[2] K. Mislow,et al. Classification of topologically chiral molecules , 1994 .
[3] W. T. Wipke,et al. Stereochemically unique naming algorithm , 1974 .
[4] F. Smith,et al. Capacitive Energy and the Ionization of Aromatic Hydrocarbons , 1961 .
[5] Alexandru T. Balaban,et al. From Chemical Topology to 3D Geometry , 1997, J. Chem. Inf. Comput. Sci..
[6] J. Simon. Topological chirality of certain molecules , 1986 .
[7] J. E. Leonard,et al. CANONICAL NUMBERING, STEREOCHEMICAL DESCRIPTORS, AND UNIQUE LINEAR NOTATIONS FOR POLYHEDRAL CLUSTERS , 1983 .
[8] W. Todd Wipke,et al. Quadratic Shape Descriptors. 1. Rapid Superposition of Dissimilar Molecules Using Geometrically Invariant Surface Descriptors , 2000, J. Chem. Inf. Comput. Sci..
[9] David M. Walba,et al. A Topological Hierarchy of Molecular Chirality and other Tidbits in Topological Stereochemistry , 1991 .
[10] Mathew Hahn,et al. Three-Dimensional Shape-Based Searching of Conformationally Flexible Compounds , 1997, J. Chem. Inf. Comput. Sci..
[11] A. T. Balaban. Chemical graphs—VII : Proposed nomenclature of branched cata-condensed benzenoid polycyclic hydrocarbons , 1969 .
[12] K. Nicolaou,et al. Does CIP Nomenclature Adequately Handle Molecules with Multiple Stereoelements? A Case Study of Vancomycin and Cognates , 2001 .
[13] Alexandru T. Balaban,et al. Topological and Stereochemical Molecular Descriptors for Databases Useful in QSAR, Similarity/Dissimilarity and Drug Design , 1998 .
[14] Kinetic and thermodynamic analysis of proteinlike heteropolymers: Monte Carlo histogram technique , 1995, chem-ph/9507003.
[15] Osman F. Güner,et al. Three‐dimensional Structure Searching , 2002 .
[16] Jens Sadowski. Three-dimensional Structure Generation: Automation , 2002 .
[17] Danail Bonchev,et al. Unique description of chemical structures based on hierarchically ordered extended connectivities (HOC procedures). III. Topological, chemical, and stereochemical coding of molecular structure , 1985 .
[18] Eugene I. Shakhnovich,et al. Enumeration of all compact conformations of copolymers with random sequence of links , 1990 .
[19] Alexandru T. Balaban,et al. From Chemical Graphs to 3D Molecular Modeling , 2002 .
[20] Fujio Mizukami,et al. Quantum algebraic–combinatoric study of the conformational properties of $$n$$ ‐alkanes. I , 1999 .
[21] T. Akutsu. A New Method of Computer Representation of Stereochemistry. Transforming a Stereochemical Structure into a Graph. , 1991 .
[22] Goran Krilov,et al. Characterization of 3-D sequences of proteins☆ , 1997 .
[23] Alexandru T. Balaban,et al. Systematic classification and nomenclature of diamond hydrocarbons—I: Graph-theoretical enumeration of polymantanes , 1978 .
[24] V. Hruby. Design in topographical space of peptide and peptidomimetic ligands that affect behavior. A chemist's glimpse at the mind--body problem. , 2001, Accounts of chemical research.
[25] K. Funatsu,et al. Novel Canonical Coding Method for Representation of Three‐Dimensional Structures. , 2000 .
[26] A. Balaban. Challenging problems involving benzenoid polycyclics and related systems , 1982 .
[27] N. Wingreen,et al. Emergence of Preferred Structures in a Simple Model of Protein Folding , 1996, Science.
[28] F. Harary,et al. Chemical graphs—V : Enumeration and proposed nomenclature of benzenoid cata-condensed polycyclic aromatic hydrocarbons , 1968 .
[29] Alexandru T. Balaban. Enumeration of Isomers , 1992 .