Biomolecular Structure and Dynamics

This volume describes current fundamental advances in the experimental and theoretical study of molecular dynamics and stochastic dynamic simulations, X-ray crystallography and NMR of biomolecules, the structure of proteins and its prediction, time resolved Fourier transform IR spectroscopy of biomolecules, the computation of free energy, applications of vibrational CD of nucleic acids, and solid state NMR. Further presentations include recent advances in UV resonance Raman spectroscopy of biomolecules, semiempirical MO methods, empirical force fields, quantitative studies of the structure of proteins in water by Fourier transform IR, and density functional theory. Metal-ligand interactions, DFT treatment of organometallic and biological systems, and simulation vs. X-ray and far IR experiments are also discussed in some detail. The text provides a broad perspective of the current theoretical aspects and experimental findings in the field of biomolecular dynamics, revealing future research trends, especially in areas where theoreticians and experimentalists could collaborate.

Dedication. Preface. Acknowledgments. Clifford Geometric Algebras in Multilinear Algebra and Non-Euclidean Geometries.- Geometric algebra Projective Geometries; Affine and other geometries; Affine Geometry of pseudo-euclidean space; Conformal Geometry and the Horosphere; References. Content-Based Information Retrieval by Group Theoretical Methods.- Introduction; Motivating Examples; General Concept; Fault Tolerance.- Applications, Prototypes, and Test Results; Related Work and Future Research; References.- Four Problems in Radar.-Introduction; Radar Fundamentals; Radar Waveforms; Signal Processing; Space-Time Adaptive Processing; Four Problems in Radar; Conclusions. Introduction to Generalized Classical and Quantum Signal and System Theories on Groups and Hypergroups.-Generalized classical signal/system theory on hypergroups; Generalized quantum signal/system theory on hypergroups; Conclusion; References. Lie Groups and Lie Algebras in Robotics.- Introduction -- Rigid Body Motions; Lie Groups; Finite Screw Motions; Mechanical Joints; Invisible Motion and Gripping; Forward Kinematics; Lie Algebra; The Adjoint Representation; The Exponential Map Derivatives of Exponentials; Jacobians; Concluding Remarks; References. Quantum/Classical Interface: a Geometric Approach from the Classical Side.- Introduction Paravector Space as Spacetime; Eigenspinors; Spin; Dirac Equation; Bell's Theorem; Qubits and Entanglement; Conclusions; References. PONS, Reed-Muller Codes, and Group Algebras.- Introduction; Analytic Theory of One-Dimensional PONS (Welti); Shapiro Sequences, Reed-Muller Codes, and Functional Equations; Group Algebras; Reformulation of Classical PONS; Group Algebra of Classical PONS; GroupAlgebra Convolution; Splitting Sequences; Historical Appendix on PONS; References. Clifford Algebras as a Unified Language.- Introduction; Clifford algebras as models of physical spaces; Clifford Algebras as Models of Perceptual Multicolor Spaces; Hypercomplex-Valued invariants of nD multicolor images; Conclusions; Acknowledgments; References. Recent Progress and Applications in Group FFTs.-Introduction; Finite group FFTs; FFTs for compact groups; Noncompact groups; References. Group Filters and Image Processing.- Introduction: Classical Digital Signal Processing; Abelian Group DSP; Nonabelian Groups; Examples; Group Transforms; Group Filters; Line-like Images; Acknowledgments; References. A Geometric Algebra Approach to Some Problems of Robot Vision.- Introduction; Local Analysis of Multi-dimensional Signals; Knowledge Based Neural Computing; Acknowledgments; References. Group Theory in Radar and Signal Processing.- Introduction; How a Radar Works; Representations; Representations and Radar; Ambiguity Functions; The Wide Band Case; References. Geometry of Paravector Space with Applications to Relativistic Physics.- Clifford Algebras in Physics; Paravector Space as Spacetime; Interpretation; Eigenspinors; Maxwell's Equation; Conclusions; References. A Unified Approach to Fourier-Clifford-Prometheus Transforms- Introduction; New construction of classical and multiparametric Prometheus transforms; PONS associated with Abelian groups; Fast Fourier-Prometheus Transforms; Conclusions; Acknowledgments; References. Fast Color Wavelet Transforms.- Introduction; Color images; Color Wavelet-Haar-Prometheus transforms; Edge detection and compression of color images; Conclusion; Acknowledgments; References. Selected Problems; Various Authors.- Transformations of Euclidean Space and Clifford Geometric; Algebra; References; On the Distribution of Kloosterman Sums on Polynomials over Quaternions; References; Harmonic Sliding Analysis Problems; References; Spectral Analysis under Conditions of Uncertainty; A Canonical Basis for Maximal Tori of the Reductive Centrizer of a Nilpotent Element; References; 6 The Quantum Chaos Conjecture References; Four Problems in Radar; Topic Index; Author Index