Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 80 for “"Energy function"”.
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De Novo Protein Structure Modeling and Energy Function Design
… problems are (1) the lack of an accurate energy function and (2) the lack of an efficient search algorithm. A protein energy function accurately describing the interaction between residues is able to supervise the optimization of a protein conformation, as well as select native or …
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Dynamics of a continuum characterized by a non-convex energy function
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 1993.
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Potential energy function development and dynamics of energy transfer and fragmentation for collisions of protonated peptide ions with organic surfaces
… type of collision depending on the translational energy. Projectile ions, with translational energies in the range of 1- 100 eV, adhere when they collide with organic surfaces. This is called soft-landing and by colliding biological molecules with surfaces, this property has been used to prepare …
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Application of the Statistical Energy Landscape Theory to Protein Structure Prediction
… methods to narrow this gap. Using ideas from the energy landscape theory first introduced by Bryngelson and Wolynes, and database analysis, we have designed statistical mechanical energy functions for protein structure prediction by threading and simulated annealing molecular dynamics methods. …
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REAL-TIME CLASSIFIER BASED ON ADAPTIVE COMPETITIVE SELF-ORGANIZING ALGORITHM
… of this classifier is based on developing an energy function, constructed based on the sum of Lorentzian functions, where they correspond to the clusters of similar input patterns. The defined energy function is a form of Lyapunov function, and it guarantees trajectories of weights, which are …
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Development and verification of the relationship between atomic vibrational amplitude and thermal expansion of crystalline solids
… basic principles, assuming a simple potential energy function between atoms. The functional accuracy of this relationship is proven for several cubic lattice elements and compounds by experimental data reported in the literature. The constants of the relationship are calculated for the …
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EXTERIOR REGULARIZED HARMONIC AND HARMONIC FUNCTIONS
This thesis mainly studies harmonic functions on exterior regions, having compact, Lipschitz boundaries, in our new finite energy function space, via the sequence of exterior harmonic Steklov eigenvalues and associated eigenfunctions. The new space is strictly larger than the standard …
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Energy methods for lossless systems using quadratic differential forms
… as one for which there exists a QDF known as an energy function that is positive along nonzero trajectories of the system and whose derivative along the trajectories of the system is zero if inputs to the system are made equal to zero. Using this deffnition, we prove that if a lossless system is …
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Electron tunneling into superconducting mercury films below one degree Kelvin
… The effective phonon spectrum and the complex energy gap function for mercury are thereby derived. Values for the electron self energy function, the electron renormalization function, Coulomb pseudopotentia1, and the electron-phonon interaction constant are also determined.
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The impact of protein fluctuations on molecular recognition
… mechanical technique using a simplified energy function that only applied the\r\neffects of excluded volume and implicit solvation. This energy function was utilized to\r\nweight an ensemble of conformational states from which aggregate thermodynamic\r\nproperties could be derived. The …
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Multi-view image refocusing
… by finding a minimum value of a constructed energy function. Graph Cuts algorithm is one of the most efficient optimization methods. We use it to optimize our built energy function due to its feature of fast convergence. The second part is to blur each layer that is not assigned to be …
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Biological tissue mechanics with fibres modelled as one dimensional Cosserat continua: applications to cardiac tissue in healthy and diseased states
… mechanics is modelled using anisotropic strain energy functions capturing the averaged behaviour of its fibrous microstructure. The strain energy function can be derived via representation theorems for anisotropic functions where a suitable nonlinear strain tensor, e.g. the Green strain tensor, …
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Efficient inference and learning for computer vision labelling problems
Discrete energy minimization has recently emerged as an indispensable tool for computer vision problems. It enables inference of the maximum a posteriori solutions of Markov and conditional random fields which can be used to model labelling problems in vision. When formulating such problems in an …
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Soft computing y aprendizaje automático para la segmentación de imágenes con modelos deformables
… in images by means of the minimization of an energy function. The function is defined such that its global minimum corresponds to the ideal DM position. Therefore, the model adjustment process is tackled as a numerical optimization problem. Regardless the extensive and successful use of DMs, …
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Surface and interfacial waves and deformations in pre-stressed elastic materials
… the pre-stess is obtained for a general strain-energy function, and conditions which ensure stability of the underlying pre-stress are derived; the influence of the pre-stress on the existence of surface waves is examined, and the secular equation is analysed in detail for particular …
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Molecular Docking With Haptic Guidance and Path Planning
… docking prediction is to find the lowest energy ligand states. The lower the energy state, the more probable the state is docked and biologically feasible. Existing automated computational methods can be time intensive, especially when using direct molecular dynamic simulation. One way to …
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MODELING AND EXPERIMENTAL INVESTIGATIONS OF THE SHOCK RESPONSE OF VISCOELASTIC FOAMS
… A specific form of the hyperelastic free energy function is developed that permits an extension of a three-phase composite theory to finite strain hyperelasticity providing the following advantages: 1) identification of the hyperelastic free energy contributions associated with the gas and …
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Some simple explicit results for the elastic dielectric properties and stability of layered composites
… the choice of invariants to describe their free energy function to the effects of interphasial phenomena. This thesis also places on record the conditions of ordinary and strong ellipticity for elastic dielectrics in full generality.
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Numerical Estimation of L2 Gain for Nonlinear Input-Output Systems
… measures the maximal gain in the transfer of energy from admissible input signals to the output signals, in which both the input and output signals are measured with the L2 norm. For general nonlinear systems, obtaining a sharp estimate of the L2 gain is challenging both theoretically and …
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Development of the finite and infinite interval learning control theory
… high nonlinearities. Benefiting from Composite Energy Function (CEF), the robust FIL is further proposed to handle norm-bounded uncertainties. In conventional FIL, only uniform desired trajectory is considered. To overcome the limitation, a new FIL approach is introduced to enable the learning …
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