Hint Swipe to navigate through the chapters of this book Close hint. The bonding topology is however not only defined, but also refined by direct consideration of the nuclear geometry, itself determined by the configuration of the embedding electron cloud. These models rely on an assumed spatial disposition of the electrons which does not take the quantum mechanical aspects into account. These models are reexamined by investigation of the topological 1-manifolds generated by the gradient field of potential functions featuring the electron cloud configuration, such as the electron density or electron localization function ELF.
DNA Structure and Topology
In this chapter, we reexamine these models in order to escape from the quantum mechanical dilemma and we show how topological analyzes enable to recover these models. Please log in to get access to this content Log in Register for free. To get access to this content you need the following product:. Springer Professional "Technik" Online-Abonnement. Springer Professional "Wirtschaft" Online-Abonnement. Dalton J New system of chemical philosophy. Bickerstaff, London. Babaev EV Chemical topology: introduction and fundamentals. Takuya Suguri, Bradley D.
Topology effects on protein—polymer block copolymer self-assembly. Polymer Chemistry , 10 14 , European Polymer Journal , , Broadening the scope of sortagging. RSC Advances , 9 9 , Advanced Functional Materials , 28 48 , Chemical Topology and Complexity of Protein Architectures. Trends in Biochemical Sciences , 43 10 , Site-selective protein modification with polymers for advanced biomedical applications. Biomaterials , , Polymers , 10 2 , Secondary structures in synthetic polypeptides from N -carboxyanhydrides: design, modulation, association, and material applications.
Chemical Society Reviews , 47 19 , Paul Wilson. Macromolecular Chemistry and Physics , 9 , Orthogonally reactive amino acids and end groups in NCA polymerization.
Introduction to Topological Quantum Matter & Quantum Computation
Pattern Recognition in Bioinformatics. LNCS, volume ; , , pp. Singh, B. Topological characterization of protein-protein interaction networks in human and mouse.
Nature Proceedings , Holland, D. Protein-protein binding selectivity and network topology constrain global and local properties of interface binding networks. Susymary, J. Graph theory analysis of protein-protein interaction network and graph based clustering of proteins linked with zika virus using MCL algorithm. Use of statistical and neural net approaches in predicting toxicity of chemicals. Wallace, R. Spontaneous symmetry breaking in a non-rigid molecule approach to intrinsically disordered proteins.
Tools for the future: Hidden symmetries. Psychiatry , , The symmetry groups of nonrigid molecules as generalized wreath products and their representations. Group theory of non-rigid molecules and its applications. Studies Phys. Chem , , 23 , Symmetry groups of chemical graphs. A generalized wreath product method for the enumeration of stereo and position isomers of polysubstituted organic compounds.
Acta , , 51 1 , Generators of the character tables of generalized wreath product groups.
Chemical Topology Introduction and Fundamentals
Acta , , 78 1 , Nested wreath groups and their applications to phylogeny in biology and Cayley trees in chemistry and physics. Character tables of n-dimensional hyperoctahedral groups and their applications. Liang, C. Knots in proteins. Taylor, W. A deeply knotted protein structure and how it might fold.
Nature , , , Long, J. Erdmann, M. Protein similarity from knot theory: Geometric convolution and line weavings. Lua, R. Statistics of knots, geometry of conformations, and evolution of proteins. PLOS Comput. Emmert-Streib, F. Algorithmic computation of knot polynomials of secondary structure elements of proteins. Yeates, T. Knotted and topologically complex proteins as models for studying folding and stability.
Sumners, D. Knot theory and DNA. Proceedings of Symposia in Applied Mathematics , , 45 , Qiu, W. Knot theory, DNA topology, and molecular symmetry breaking. Chemical Topology-Applications and Techniques. Mathematical Chemistry Series , , 6 , The role of knot theory in DNA research. Molecular orbitals and Hadamard matrices. Computer generation of Hadamard matrices.
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MacWilliams, F. The theory of error-correcting codes , 1st ed; Elsevier, , Vol. Petoukhov, S. Hadamard matrices and quint matrices in matrix presentations of molecular genetic systems.
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Symmetry Cult. Symmetries of the genetic code, Walsh functions and the theory of genetic logical holography. Sci , , 27 , Mallion, R. Bonchev, D. Kier, L. Molecular connectivity in drug research ; , , p. Characterization of molecular branching. Hosoya, H. The topological index Z before and after Internet Electron.
Devilliers, J. Estrada, E. Recent advances on the role of topological indices in drug discovery research. Arockiaraj, M. Hyper-Wiener and Wiener polarity indices of silicate and oxide frameworks. Arockiyaraj, M. Analytical expressions for topological properties of polycyclic benzenoid networks. Topological indices and their applications to circumcised donut benzenoid systems, kekulenes and drugs.
Distance-based topological indices of nanosheets, nanotubes and nanotori of SiO 2. Topological characterization of coronoid polycyclic aromatic hydrocarbons. Sable, R. Surfing the protein-protein interaction surface using docking methods: Application to the design of PPI inhibitors. Molecules , , 20 6 , Cheng, A.
Structure-based maximal affinity model predicts small-molecule druggability. Wells, J. Reaching for high-hanging fruit in drug discovery at protein-protein interfaces. Fuller, J. Predicting druggable binding sites at the protein-protein interface. Drug Discov. Today , , 14 , Wishart, D. DrugBank: A knowledgebase for drugs, drug actions and drug targets.
Xu, G. Chemokine receptor CCR5 antagonist maraviroc: Medicinal chemistry and clinical applications.