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searching for Energy minimization 96 found (112 total)

Minimum total potential energy principle (554 words) [view diff] no match in snippet view article find links to article

The minimum total potential energy principle is a fundamental concept used in physics and engineering. It dictates that at low temperatures a structure

Gibbs free energy (4,546 words) [view diff] no match in snippet view article find links to article

In thermodynamics, the Gibbs free energy (or Gibbs energy as the recommended name; symbol G {\displaystyle G} ) is a thermodynamic potential that can be

Molecular modelling (1,377 words) [view diff] exact match in snippet view article find links to article

energies. Methods which minimize the potential energy are termed energy minimization methods (e.g., steepest descent and conjugate gradient), while methods

Laplace operator (4,069 words) [view diff] no match in snippet view article find links to article

In mathematics, the Laplace operator or Laplacian is a differential operator given by the divergence of the gradient of a scalar function on Euclidean

PARATEC (187 words) [view diff] exact match in snippet view article find links to article

full-potential approach has been implemented within PARATEC. The total energy minimization of the electrons can be done by two methods: (i) the more traditional

Molecular mechanics (2,331 words) [view diff] exact match in snippet view article find links to article

computationally expensive. Another application of molecular mechanics is energy minimization, whereby the force field is used as an optimization criterion. This

Soft-body dynamics (2,547 words) [view diff] no match in snippet view article find links to article

Soft-body dynamics is a field of computer graphics that focuses on visually realistic physical simulations of the motion and properties of deformable objects

Galerkin method (2,944 words) [view diff] exact match in snippet view article find links to article

not require the bilinear form to be symmetric and substitutes the energy minimization with orthogonality constraints determined by the same basis functions

BDDC (1,339 words) [view diff] exact match in snippet view article find links to article

Dohrmann, A preconditioner for substructuring based on constrained energy minimization, SIAM J. Sci. Comput., 25 (2003), pp. 246–258. Y. Fragakis and M

CHARMM (2,111 words) [view diff] exact match in snippet view article find links to article

changing secondary structure). The calculation section can include energy minimization, dynamics production, and analysis tools such as motion and energy

Active contour model (4,058 words) [view diff] exact match in snippet view article find links to article

technique of matching a deformable model to an image by means of energy minimization. In two dimensions, the active shape model represents a discrete

MMP20 (635 words) [view diff] exact match in snippet view article find links to article

differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes". J. Biomol. Struct. Dyn. 17 (6): 933–46

MMP23B (657 words) [view diff] exact match in snippet view article find links to article

differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes". J. Biomol. Struct. Dyn. 17 (6): 933–46

Tinker (software) (953 words) [view diff] exact match in snippet view article

derivatives as a function of molecular conformation and their use in energy minimization". Journal of Computational Chemistry. 12 (3): 402. CiteSeerX 10.1

TGF alpha (2,040 words) [view diff] case mismatch in snippet view article find links to article

16 MODELS WITHOUT ENERGY MINIMIZATION 1yug: TYPE ALPHA TRANSFORMING GROWTH FACTOR, NMR, 15 MODELS AFTER ECEPP/3 ENERGY MINIMIZATION 2tgf: THE SOLUTION

Aqion (904 words) [view diff] exact match in snippet view article find links to article

approaches in hydrochemistry: Law of mass action (LMA) and Gibbs energy minimization (GEM). The program aqion belongs to the category LMA approach. In

MMP19 (954 words) [view diff] exact match in snippet view article find links to article

differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes". J. Biomol. Struct. Dyn. 17 (6): 933–46

Nucleic acid structure prediction (3,633 words) [view diff] exact match in snippet view article find links to article

of RNA secondary structure prediction from one sequence by free energy minimization is limited by several factors: The free energy value's list in nearest

MMP15 (945 words) [view diff] exact match in snippet view article find links to article

differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes". J. Biomol. Struct. Dyn. 17 (6): 933–46

Grassfire transform (473 words) [view diff] exact match in snippet view article find links to article

of images to arbitrary functions. This includes applications in energy minimization problems such as those handled by the Viterbi algorithm, max-product

MMP17 (946 words) [view diff] exact match in snippet view article find links to article

differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes". J. Biomol. Struct. Dyn. 17 (6): 933–46

GROMOS (937 words) [view diff] exact match in snippet view article find links to article

includes studies of molecular dynamics, stochastic dynamics, and energy minimization. The energy component was also part of the prior GROMOS, named GROMOS87

Orbital-free density functional theory (503 words) [view diff] no match in snippet view article find links to article

exists a functional of the electron density that yields the total energy. Minimization of this functional with respect to the density gives the ground-state

Rayleigh theorem for eigenvalues (3,103 words) [view diff] exact match in snippet view article find links to article

Rayleigh theorem for eigenvalues, as discussed below, enables the energy minimization that is required in many self-consistent calculations of electronic

Energy engineering (1,156 words) [view diff] exact match in snippet view article find links to article

are also employed by the fields of oil and natural gas extraction. Energy minimization is the purpose of this growing discipline. Often applied to building

Merck molecular force field (255 words) [view diff] exact match in snippet view article find links to article

List, Ltd. Retrieved 17 September 2016. MMFF VI. MMFF94s option for energy minimization studies, Thomas A. Halgren, J. Comput. Chem.; 1999; 720-729, doi:10

BALL (930 words) [view diff] exact match in snippet view article find links to article

Support for force fields (MMFF94, AMBER, CHARMM) for scoring and energy minimization Python interface and scripting functionality Plugin infrastructure

MMP16 (982 words) [view diff] exact match in snippet view article find links to article

differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes". J. Biomol. Struct. Dyn. 17 (6): 933–46

Balancing domain decomposition method (581 words) [view diff] exact match in snippet view article find links to article

Convergence of a balancing domain decomposition by constraints and energy minimization, Numer. Linear Algebra Appl., 10 (2003), pp. 639–659. doi:10.1002/nla

Womersley number (1,017 words) [view diff] exact match in snippet view article find links to article

length, etc., with body mass) are a consequence of the need for energy minimization, the fractal nature of vascular networks, and the crossover from

Jacques Cohen (computer scientist) (762 words) [view diff] exact match in snippet view article

doctorate in Structural Design. His doctoral dissertation involved energy minimization using Raleigh-Ritz methods to determine Fourier series coefficients

Writhe (1,465 words) [view diff] case mismatch in snippet view article find links to article

MR 0131846. Levitt, Michael (1986). "Protein Folding by Restrained Energy Minimization and Molecular Dynamics". Journal of Molecular Biology. 170 (3): 723–764

AutoDock (1,232 words) [view diff] exact match in snippet view article find links to article

Vina with improved support for scoring function development and energy minimization. Off-Target Pipeline allows integration of AutoDock within bigger

Matrix metallopeptidase 12 (1,157 words) [view diff] exact match in snippet view article find links to article

differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes". J. Biomol. Struct. Dyn. 17 (6): 933–46

Deep image prior (958 words) [view diff] exact match in snippet view article find links to article

task-dependent data term, and R(x) is the regularizer. This forms an energy minimization problem. Deep neural networks learn a generator/decoder x = f θ (

Topological index (1,213 words) [view diff] exact match in snippet view article find links to article

depend on the way the graph is depicted or labeled and no need of energy minimization of the chemical structure. The simplest topological indices do not

Random walker algorithm (2,256 words) [view diff] exact match in snippet view article find links to article

{\displaystyle V} is the set of all nodes), then the optimum of the energy minimization problem is given by the solution to L S ¯ , S ¯ x S ¯ = − L S ¯

R2 RNA element (678 words) [view diff] exact match in snippet view article find links to article

binding to oligonucleotide microarrays, structure probing, and free energy minimization. To date, conservation of structure has only been described in five

I-TASSER (1,178 words) [view diff] case mismatch in snippet view article find links to article

Structural Accuracy of Protein Models by a Two-step Atomic-level Energy Minimization". Biophysical Journal. 101 (10): 2525–2534. doi:10.1016/j.bpj.2011

Simplified molecular-input line-entry system (3,624 words) [view diff] no match in snippet view article find links to article

ambiguous. Conversion to three-dimensional representation is achieved by energy-minimization approaches. There are many downloadable and web-based conversion

Swiss-model (1,156 words) [view diff] exact match in snippet view article find links to article

of target sequence and template structure(s). Model building and energy minimization. SWISS-MODEL implements a rigid fragment assembly approach for modelling

Physically based animation (2,135 words) [view diff] exact match in snippet view article find links to article

toward specified goals given physically based constraints such as energy minimization. The adoption of physically based character animation, as opposed

Constraint (computational chemistry) (4,518 words) [view diff] exact match in snippet view article

implicit-force solutions. The simplest approach to satisfying constraints in energy minimization and molecular dynamics is to represent the mechanical system in so-called

Discrete skeleton evolution (800 words) [view diff] case mismatch in snippet view article find links to article

Latecki, Longin Jan (2007-08-27). "Discrete Skeleton Evolution". Energy Minimization Methods in Computer Vision and Pattern Recognition. Lecture Notes

Molecular Modelling Toolkit (319 words) [view diff] exact match in snippet view article find links to article

deformation force field for fast normal mode calculations on proteins energy minimization (steepest descent and conjugate gradient) molecular dynamics (with

Finite water-content vadose zone flow method (1,942 words) [view diff] exact match in snippet view article find links to article

capillary relaxation step. Capillary relaxation represents a free-energy minimization process at the pore scale that produces no advection beyond the REV

Probabilistic context-free grammar (5,256 words) [view diff] exact match in snippet view article find links to article

and PCFGs can express the same set of probability distributions. Energy minimization and PCFG provide ways of predicting RNA secondary structure with

Matrix metallopeptidase 13 (1,782 words) [view diff] exact match in snippet view article find links to article

differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes". Journal of Biomolecular Structure

Bounded deformation (488 words) [view diff] exact match in snippet view article find links to article

G. A. & Marigo, J.-J. (1998). "Revisiting brittle fracture as an energy minimization problem" (PDF). J. Mech. Phys. Solids. 46 (8): 1319–1342. Bibcode:1998JMPSo

Markov random field (2,777 words) [view diff] exact match in snippet view article find links to article

to solve various computer vision problems which can be posed as energy minimization problems or problems where different regions have to be distinguished

Affordance (3,029 words) [view diff] exact match in snippet view article find links to article

Jelle; Rietveld, Erik (12 August 2014). "Self-organization, free energy minimization, and optimal grip on a field of affordances". Frontiers in Human

Searching the conformational space for docking (1,070 words) [view diff] exact match in snippet view article find links to article

protocol is performed. This is usually supplemented with short MD energy minimization steps, and the energies determined from the MD runs are used for

Graph cut optimization (4,232 words) [view diff] exact match in snippet view article find links to article

Boykov, Yuri; Veksler, Olga; Zabih, Ramin (2001). "Fast approximate energy minimization via graph cuts". IEEE Transactions on Pattern Analysis and Machine

GeNMR (787 words) [view diff] exact match in snippet view article find links to article

details about the overall energy score (prior to and following energy minimization) and chemical shift correlations (between the observed and calculated

Tert-Amyl methyl ether (802 words) [view diff] exact match in snippet view article find links to article

reaction pressure was obtained by using the method of the Gibbs free energy minimization. The activity coefficients of each component were accurately calculated

Michael Levitt (2,515 words) [view diff] exact match in snippet view article find links to article

avoid "a central embarrassment of molecular mechanics, namely that energy minimization or molecular dynamics generally leads to a model that is less like

Preferred walking speed (2,404 words) [view diff] exact match in snippet view article find links to article

to a distraction, and so they arrive at their destination sooner. Energy minimization is widely considered a primary goal of the central nervous system

Moiré pattern (4,159 words) [view diff] case mismatch in snippet view article find links to article

Figueiredo, Mário; Zerubia, Josiane (2001). Jain, Anil K. (ed.). Energy Minimization Methods in Computer Vision and Pattern Recognition. Springer. ISBN 9783540425236

Mathematical optimization (5,907 words) [view diff] exact match in snippet view article find links to article

technique in the fields of physics may refer to the technique as energy minimization, speaking of the value of the function f as representing the energy

List of RNA structure prediction software (8,423 words) [view diff] exact match in snippet view article find links to article

function to determine confidence in base pairs predicted by free energy minimization". RNA. 10 (8): 1178–1190. doi:10.1261/rna.7650904. PMC 1370608. PMID 15272118

Multigrid method (2,824 words) [view diff] no match in snippet view article find links to article

framework covers most existing AMG methods, such as classical AMG, energy-minimization AMG, unsmoothed and smoothed aggregation AMG, and spectral AMGe.

Magnetic domain (3,021 words) [view diff] exact match in snippet view article find links to article

their neighbors in domains, creating strong local magnetic fields, energy minimization results in a domain structure that minimizes the large-scale magnetic

Thermodynamic equations (3,527 words) [view diff] exact match in snippet view article find links to article

equation results from the same Second-Law principle that gives rise to energy minimization under restricted conditions: that the total entropy of the system

Potts model (3,624 words) [view diff] exact match in snippet view article find links to article

Boykov, Y.; Veksler, O.; Zabih, R. (November 2001). "Fast approximate energy minimization via graph cuts". IEEE Transactions on Pattern Analysis and Machine

Christopher Cherniak (1,597 words) [view diff] no match in snippet view article find links to article

neuroanatomy optimization can be approximated well by “mesh of springs” energy-minimization mechanisms. (Cf. discussion below of the “genomic bottleneck”.) A

Chemical file format (1,941 words) [view diff] no match in snippet view article find links to article

Brooks, B.M.; et al. (1983). "CHARMM: A program for macromolecular energy, minimization, and dynamics calculations". J. Comput. Chem. 4 (2): 187–217. doi:10

The Geochemist's Workbench (1,672 words) [view diff] exact match in snippet view article find links to article

flexibility. Plant Soil 330(1), 207-214 Kulik, D.A., 2002, Gibbs energy minimization approach to model sorption equilibria at the mineral-water interface:

Riboswitch (3,887 words) [view diff] exact match in snippet view article find links to article

ISBN 978-1-934115-88-6. PMID 19381548. Barash D, Gabdank I (January 2010). "Energy minimization applied to riboswitches: a perspective and challenges". RNA Biology

Contact angle (3,986 words) [view diff] exact match in snippet view article find links to article

appropriate boundary conditions, is complicated, and an alternate energy minimization approach to this is generally adopted. The shapes of three-dimensional

Force field (chemistry) (9,838 words) [view diff] exact match in snippet view article

avoid "a central embarrassment of molecular mechanics, namely that energy minimization or molecular dynamics generally leads to a model that is less like

Nanorobotics (5,847 words) [view diff] exact match in snippet view article find links to article

means that all contacting parts will stick together following the energy minimization principle. The adhesion and static friction between parts can easily

Free energy principle (6,256 words) [view diff] exact match in snippet view article find links to article

agent's (marginal, or average) sensory surprise, and hence free energy minimization is often motivated by the minimization of surprise. Free energy minimisation

Modern valence bond theory (2,703 words) [view diff] exact match in snippet view article find links to article

functions are allowed to adjust simultaneously with the orbitals during energy minimization procedures. This is considered to be one of the best VB descriptions

Bilevel optimization (2,174 words) [view diff] exact match in snippet view article find links to article

contact forces) can only be figured out by solving the potential energy minimization problem that appears as an equilibrium satisfaction constraint or

Geochemical modeling (2,264 words) [view diff] exact match in snippet view article find links to article

Aqueous Solutions LLC, Champaign, IL USA Kulik, D.A., 2002, Gibbs energy minimization approach to model sorption equilibria at the mineral-water interface:

Cadherin-1 (6,434 words) [view diff] exact match in snippet view article find links to article

inhibit cell sorting. This is likely because cell sorting is driven by energy minimization. WIthin tissue energetics, tension plays an important role in ensuring:

Josiane Zerubia (735 words) [view diff] case mismatch in snippet view article find links to article

Multidisciplinary Endeavor. Springer-Verlag. 2013. ISBN 978-3-642-31207-6. Energy Minimization Methods in Computer Vision and Pattern Recognition: Third International

Anisotropic Network Model (2,204 words) [view diff] exact match in snippet view article find links to article

given crystal structure is an energetic minimum and does not require energy minimization. The force constant of the system can be described by the Hessian

Geothermobarometry (3,099 words) [view diff] exact match in snippet view article find links to article

Matthieu E. (2018-11-01). "Electrolytic fluid speciation by Gibbs energy minimization and implications for subduction zone mass transfer". Earth and Planetary

Phoratoxin and viscotoxin (2,291 words) [view diff] case mismatch in snippet view article find links to article

ISBN 978-1-4613-6239-5. Whitlow, Marc; Teeter, M. M. (February 1985). "Energy Minimization for Tertiary Structure Prediction of Homologous Proteins: α 1 -purothionin

Optics (12,848 words) [view diff] case mismatch in snippet view article find links to article

Wisconsin-Whitewater A.K. Jain; M. Figueiredo; J. Zerubia (2001). Energy Minimization Methods in Computer Vision and Pattern Recognition. Springer.

Variational Monte Carlo (1,874 words) [view diff] exact match in snippet view article find links to article

bounded from below, it is positive defined and its minimum is known. Energy minimization may ultimately prove more effective, however, as different authors

Protein design (7,649 words) [view diff] exact match in snippet view article find links to article

(October 28, 2006). "Convergent tree-reweighted message passing for energy minimization". IEEE Transactions on Pattern Analysis and Machine Intelligence

Homology modeling (5,095 words) [view diff] exact match in snippet view article find links to article

global optimization procedure that originally used conjugate gradient energy minimization to iteratively refine the positions of all heavy atoms in the protein

Semi-global matching (2,048 words) [view diff] exact match in snippet view article find links to article

Kolmogorov, Vladimir; Zabih, Ramin (2003). "Visual correspondence using energy minimization and mutual information". Proceedings of the Ninth IEEE International

Structural alignment (5,364 words) [view diff] exact match in snippet view article find links to article

Turner DH (2006). "Prediction of RNA secondary structure by free energy minimization". Curr Opin Struct Biol. 16 (3): 270–8. doi:10.1016/j.sbi.2006.05

Phase-field model (3,678 words) [view diff] exact match in snippet view article find links to article

smearing due to convection, interfacial reconstruction due to free energy minimization (i.e. mobility-based diffusion), and phase interpenetration, also

Image segmentation (9,650 words) [view diff] exact match in snippet view article find links to article

these limitations while maintaining high efficiency. In both cases, energy minimization is generally conducted using a steepest-gradient descent, whereby

Bernd Michael Rode (2,308 words) [view diff] exact match in snippet view article find links to article

coordinated glycine ligand, one chloride ligand and two axial water molecules obtained via energy minimization at Hartree-Fock level in implicit solvent.

Computational anatomy (16,865 words) [view diff] case mismatch in snippet view article find links to article

Vincent; Younes, Laurent (2001). "Geodesic Interpolating Splines". Energy Minimization Methods in Computer Vision and Pattern Recognition. Lecture Notes

Effect of gait parameters on energetic cost (2,419 words) [view diff] case mismatch in snippet view article find links to article

relations are predicted by constrained optimization. Journal of theoretical Biology, 209(4), 445-453. Passive Dynamic Walking Control of Energy Minimization

Tafazzin (6,744 words) [view diff] exact match in snippet view article find links to article

Conflicting explanations for this preference have included causation from energy minimization with influences by the surrounding microenvironment, known as the

Thomson problem (2,912 words) [view diff] exact match in snippet view article find links to article

Morris, J. R.; Deaven, D. M.; Ho, K. M. (1996). "Genetic-algorithm energy minimization for point charges on a sphere". Phys. Rev. B. 53 (4): R1740–R1743

Self-assembly of nanoparticles (6,088 words) [view diff] exact match in snippet view article find links to article

is found. Kinetics The ultimate driving force in self-assembly is energy minimization and the corresponding evolution towards equilibrium, but kinetic

Non-topological soliton (6,328 words) [view diff] no match in snippet view article find links to article

distribution inside the NTS and the latest one gives the volume vacuum energy. Minimization with R {\displaystyle R} gives the NTS energy as a function of its

Fiveling (9,299 words) [view diff] exact match in snippet view article find links to article

effects. Allpress and Sanders proposed an alternative approach to energy minimization to understanding these particles called "successive twinning". Here