SEARCH Articles Figures Tables A Comparison of Protein Structure Prediction Methods CASP A Methods for Investigating Crystallographic Structure A Testing Ground for Electronic Structure Methods AIMD simulation method electronic structure calculations Alkaloid structures spectral methods, study Analytical methods techniques, molecular structural Application of Monte Carlo Methods to Structure Simulation Application of Structure-based Alignment Methods for 3D QSAR Analyses Atomic electronic structure methods Band-structure method Basic Descent Structure of Local Methods Basic electronic structure methods Bayesian Methods for Structural Dynamics and Civil Engineering Ka-Veng Yuen Born-Oppenheimer approximation electronic structure methods Carlo Quantum Methods for Electronic Structure Checklist of Methods for Finding Transition Structures Colloidal methods catalysts structure Computational methods electronic structure calculations Computational methods structural kinetic modeling Computational methods, liquid structure Computer-aided structure elucidation methods Configuration-interaction methods electronic structure calculations Constraint methods, tertiary protein structure Copolymers structure-based method Crazing Incidence X-ray Methods for Near-surface Structural Studies Crystal structure Rietveld method Crystal structure calculation cluster method Crystal structure prediction Monte Carlo methods Crystal structure prediction search method Crystal structures determination methods Crystal structures direct methods Crystalline structure characterization methods Crystallographic structure refinement methods Data mining methods, component structure Deconvolution method, structural Deconvolution method, structural refinement Density functional theory electronic structure methods Descent structure of local methods Determination of 4-Connected Framework Crystal Structures by Simulated Annealing Method Diffraction methods absolute structure determination Diffraction methods structure reliability Direct methods of structure solution Direct methods structure invariants Discrete variational methods electronic structures Docking methods structure-based Drug design protein structure-based methods Drug design structure-based methods Electron structure methods Electronic structure CNDO method Electronic structure Green-function methods Electronic structure Hartree-Fock, restricted, method Electronic structure Korringa-Kohn-Rostoker method Electronic structure computations methods Electronic structure computations wavefunction-based methods Electronic structure configuration-interaction methods Electronic structure full-potential methods Electronic structure methods Electronic structure methods B3LYP functional Electronic structure methods Gaussian Electronic structure methods Hartree-Fock theory Electronic structure methods Kohn-Sham equations Electronic structure methods Koopmans’ theorem Electronic structure methods Moller-Plesset perturbation Electronic structure methods ONIOM Electronic structure methods Siesta Electronic structure methods Slater determinants Electronic structure methods adiabatic approximation Electronic structure methods approximation Electronic structure methods configuration interaction method Electronic structure methods dynamics Electronic structure methods exchange-correlation functional Electronic structure methods for excited states Electronic structure methods frozen core Electronic structure methods independent-particle models Electronic structure methods linear scaling Electronic structure methods local density approximation Electronic structure methods parameterization Electronic structure methods periodic density functional theory Electronic structure methods periodic systems Electronic structure methods pseudopotential approximation Electronic structure methods self-consistent approximation Electronic structure methods self-consistent field theory Electronic structure methods variational problem Electronic structure moments methods Electronic structure real-space methods Electronic structure self-consistent field methods Electronic structure variational methods Electrospinning method structures Empirical methods of solving crystal structures Enzymatic methods, determining oligosaccharide structures Exchange integrals electronic structure methods Excited Structure Analyzed by Equilibrium Method Experimental Structural Methods Exploring Chemistry with Electronic Structure Methods Fedors Method Atomic and Structural Contributions Films structure electron diffraction methods First Principles Electronic Structure Methods First-principles Methods for Predicting Protein Structure Force field methods structurally different molecules Force field methods transition structure modelling Force-field methods, calculation of molecular structure and energy General Methods for Searching Similar Structural Motifs General band-structure methods Glycoproteins structural analysis methods Gradient-based Methods for Determination of Cluster Structures at Zero Temperature Hamiltonian operators electronic structure methods Hartree-Fock method band structures Hartree-Fock method band structures, theory Homopolymers structure-based method Hybrid force field electronic structure method Hybrid structure methods Impact of Spectroscopic Methods on Structure Elucidation Incorrect structures resulting from inappropriate use of purification or analytical methods Information about crystal structures from other methods Ionization methods, mass structures Kekule Structures Counting Method Light polarized, structural analysis methods using Linear Recursive Methods - Kekule Structure Counting MOLECULAR STRUCTURES BY COMPUTATIONAL METHODS Mass Spectrometric Methods for Complete Structure Method development for structural studies Method of Increments Valence-band Structure and Bandgap Method transfer management structure Methods for Investigating Crystallographic Structure Methods for Protein Structure Determination Methods for Structure Prediction Methods for structure determination Methods in structural chemistry Methods in structural polysaccharide chemistry Methods of Determining Crystal Structure Methods of Structure Analysis Methods of electronic structure calculation Methods primary structure, determining Methods structural revision Methods three-dimensional structure Minimal topological difference method structures Modeling Methods for Large Global Structural Analysis Modelling random structure methods Molecular Structures of Phosphazenes Determined by -Ray Diffraction Methods Molecular structure and energy, calculation of, by force-field methods Molecular structure design Monte-Carlo methods Molecular structure methods Molecular structure valence bond method Molecules structure, QSAR modeling statistical methods Molybdate method anion structure) Molybdate method structure Monte Carlo methods structure simulation models Multi-step Structuring Method Multi-structure interpolation methods chain, locally updated planes, self-penalty walk, conjugate peak refinement and nudged elastic band Multiplet structures computational method NDE methods for polymer composite structures Natural rubber structure method Newton—Raphson method structure Non-structural Traps and Methods of Investigation Oligosaccharides structural analysis methods Optical diffraction methods structure amplitude Optical diffraction methods structure determination Organic structures, global optimization methods Other Methods for Generating Initial Structures Other Structural Methods Other Structure Characterization Methods Pawley method structure factors Physical Methods for Structural Elucidation Physical Methods of Structure Determination Physical methods structure determination Physicochemical methods, pore structure Polymer Structures and Synthetic Methods Polypeptides structure-prediction methods Potential energy surfaces electronic structure methods Powder Structure Characterization by Gas Adsorption and Other Experimental Methods Prediction Methods Based on 3-D Molecular Structure Prediction of Open-framework Aluminophosphate Structures by using the AASBU Method with Lowensteins Constraints Preparative Methods and Structure Protein secondary structure, methods Protein secondary structure, methods study Protein sequence-structure methods Protein sequence-structure threading methods Protein structure based methods QSAR (quantitative structure activity methods Quantitative Structure-Acidity Methods Quantitative structure activity relationship methods Quantitative structure-activity machine-learning methods Quantitative structure-activity relationship linear regression methods Quantitative structure-activity relationship machine learning methods Quantitative structure-activity relationship partial least square method Quantitative structure-activity relationship statistical methods Quantitative structure-property quantum chemical method Quantum Mechanical Methods for Structure Elucidation Quantum mechanics methods electronic structure-based explicit Random structure methods Recursion method structure Representation molecular structure methods Rietveld method structure factor Schrodinger equation electronic structure methods Secondary structure prediction methods Semi-empirical electronic structure method Semi-empirical electronic structure method advantages Semi-empirical electronic structure method limitations Semi-empirical electronic structure method parameterization Semi-empirical electronic structure method performance Semiempirical methods of electronic structure calculation Some methods for comparing structures Specific derivatization methods reactions to alter structure Spectral Structure determination methods Spectral methods, alkaloid structures Spectroscopic Methods of Structure Elucidation Spectroscopic methods asphaltene structure Spectroscopic methods for structural Starch Structure, Properties and Physical Methods of Analysis Statistical methods, structure Statistical methods, structure prediction from sequence Structural Analysis by Chemical Methods Structural Analysis by Enzymic Methods Structural analysis enzymic methods Structural analysis, combining methods Structural analysis, methods Structural aspects and method Structural assignment, methods Structural bulk analysis of heavy crude oil fractions n-d-M method Structural characterization electrochemical methods Structural classification methods Structural determination methods Structural foams preparation method Structural function method Structural integrity mitigation methods Structural reconstruction - annealing method Structural sampling methods Structurally Recursive Method Structurally Recursive Method algorithm Structurally Recursive Method computations Structure Constants and the LMTO Method Structure Description Methods Structure Determination Experimental Techniques 2 Diffraction-based Methods Structure Prediction Methods Structure Prediction from Sequence by Statistical Methods Structure analysis methods Structure analysis methods chemical shift Structure analysis methods heated Structure analysis methods lines split Structure analysis methods molecular correlation time Structure analysis methods relaxation time Structure analysis methods sucrose Structure and Synthesis Methods for Carbon Nanotubes Structure and Synthesis Methods for Nanowires Structure correlation method Structure creation, methods Structure determination by direct methods Structure determination diffraction methods Structure determination homology methods Structure determination predictive methods Structure determination, experimental diffraction-based methods Structure determination, experimental spectroscopic methods Structure function method Structure generation fragment-based methods Structure generation methods Structure generation rule-based methods Structure of Wild and Domestic Silk Fibres Using Linked-Atom Least-Squares Method Structure prediction search methods Structure quantitative methods Structure refinement methods Structure refinement the Rietveld method Structure simulation models using methods Structure simulation models using quantum mechanical method Structure solution, Patterson heavy-atom method Structure solution, direct method Structure-Based Methods Structure-activity methods Structure-activity methods additivity model Structure-activity methods molecular modification Structure-activity methods multiple parameter Structure-activity methods pattern recognition Structure-activity methods quantum chemistry Structure-activity methods substructural analysis Structure-based Cheminformatics Approach to Virtual Screening The CoLiBRI Method Structure-based thermodynamics method Structure/property estimation method Structured environment methods Structures and Preparation Methods for Commonly Used Silicon Sources Structures, different methods Structures, different methods representing Surface structure elucidation, methods Surface structure, quantitative methods Synthetic Methods for Perovskite Materials Structure and Morphology The Structurally Recursive Method The Working Method for Drawing Lewis Structures Theoretical methods solid-state structures Three-Dimensional Structure Search Methods Three-dimensional quantitative structure-activity relationship methods Topological Methods in Chemical Structure and Bonding Transition structure methods Transition structure relaxation methods Valence bond method, electronic structure Valence-bond method ionic structures Velocity structure inversion method Water structure experimental methods Wave Function Electronic Structure Methods