Computation of through-space NMR shielding effects by functional groups common to peptides Fulltext Access 9 Pages 2006
Evaluation of a neural networks QSAR method based on ligand representation using substituent descriptors: Application to HIV-1 protease inhibitors Fulltext Access 9 Pages 2006
Wavelet neural network modeling in QSPR for prediction of solubility of 25 anthraquinone dyes at different temperatures and pressures in supercritical carbon dioxide Fulltext Access 9 Pages 2006
Structural and dynamical properties of different protonated states of mutant HIV-1 protease complexed with the saquinavir inhibitor studied by molecular dynamics simulations Fulltext Access 9 Pages 2006
Three-dimensional models of histamine H3 receptor antagonist complexes and their pharmacophore Fulltext Access 9 Pages 2006
Multi-degree reduction of triangular Bézier surfaces with boundary constraints Fulltext Access 9 Pages 2006
Skewed rotational symmetry detection from a 2D line drawing of a 3D polyhedral object Fulltext Access 9 Pages 2006
A practicable approach to G1 biarc approximations for making accurate, smooth and non-gouged profile features in CNC contouring Fulltext Access 9 Pages 2006
Homology modelling and protein structure based functional analysis of five cucumovirus coat proteins Fulltext Access 9 Pages 2006
Modelling NifH2 protein of Clostridium pasteurianum reveals clues about its physiological function Fulltext Access 9 Pages 2006
A reactivity index study to rationalize the effect of dopants on Brönsted and Lewis acidity occurring in MeAlPOs Fulltext Access 9 Pages 2006
Shaving diffusion tensor images in discriminant analysis: A study into schizophrenia Fulltext Access 9 Pages 2006
CoMFA methodology in structure-activity analysis of hexahydro- and octahydropyrido[1,2-c]pyrimidine derivatives based on affinity towards 5-HT1A, 5-HT2A and α1-adrenergic receptors Fulltext Access 10 Pages 2006
Towards model-based analysis of cardiac MR tagging data: Relation between left ventricular shear strain and myofiber orientation Fulltext Access 10 Pages 2006
Measuring orthopedic implant wear on standard radiographs with a precision in the 10 μm-range Fulltext Access 10 Pages 2006
Binding mode analysis of the NADH cofactor in nitric oxide reductase: A theoretical study Fulltext Access 10 Pages 2006
A dynamic bounding volume hierarchy for generalized collision detection Fulltext Access 10 Pages 2006
External arguments in the multiple-spiral medallions of the Mandelbrot set Fulltext Access 10 Pages 2006
Sparse surface reconstruction with adaptive partition of unity and radial basis functions Fulltext Access 10 Pages 2006
A neural networks-based drug discovery approach and its application for designing aldose reductase inhibitors Fulltext Access 10 Pages 2006
Pulmonary nodule detection in CT images with quantized convergence index filter Fulltext Access 10 Pages 2006
Some improvements on the derivative bounds of rational Bézier curves and surfaces Fulltext Access 10 Pages 2006
Machining feature recognition and tool-path generation for 3-axis CNC milling Fulltext Access 10 Pages 2006
Internal architecture design and freeform fabrication of tissue replacement structures Fulltext Access 10 Pages 2006
Linear interaction energy models for β-secretase (BACE) inhibitors: Role of van der Waals, electrostatic, and continuum-solvation terms Fulltext Access 10 Pages 2006
Using invariance under the similarity group to solve geometric constraint systems Fulltext Access 10 Pages 2006
Adsorption and diffusion of benzene in the nanoporous catalysts FAU, ZSM-5 and MCM-22: A molecular dynamics study Fulltext Access 10 Pages 2006
“Verba Volant Scripta Manent” a false axiom within virtual environments. A semi-automatic tool for retrieval of semantics understanding for speech-enabled VR applications Fulltext Access 10 Pages 2006
Adsorption equilibria of hydrocarbons in the structure of the reforming catalyst: Molecular modeling Fulltext Access 10 Pages 2006
Molecular dynamics characterization of n-octyl-β-d-glucopyranoside micelle structure in aqueous solution Fulltext Access 10 Pages 2006
Visualizing MR diffusion tensor fields by dynamic fiber tracking and uncertainty mapping Fulltext Access 10 Pages 2006
Multiple target screening method for robust and accurate in silico ligand screening Fulltext Access 10 Pages 2006
A connection rule for α-carbon coarse-grained elastic network models using chemical bond information Fulltext Access 11 Pages 2006
Molecular dynamics and circular dichroism studies of human and rat C-peptides Fulltext Access 11 Pages 2006
Architecture with GIDEON, a program for design in structural DNA nanotechnology Fulltext Access 11 Pages 2006
A theory of mode of action of azolylalkylquinolines as DNA binding agents using automated flexible ligand docking Fulltext Access 11 Pages 2006
A reactivity index study to monitor the role of solvation on the interaction of the chromophores with amino-functional silanol surface for colorimetric sensors Fulltext Access 11 Pages 2006
Exploring the potential of complex formation between a mutant DNA and the wild type protein counterpart: A MM and MD simulation approach Fulltext Access 11 Pages 2006
A curvature estimation for pen input segmentation in sketch-based modeling Fulltext Access 11 Pages 2006
Approximating curves and their offsets using biarcs and Pythagorean hodograph quintics Fulltext Access 11 Pages 2006
Barnase thermal titration via molecular dynamics simulations: Detection of early denaturation sites Fulltext Access 11 Pages 2006
An introductory course on Human–Computer Interaction: Programme, bibliography, practical classes and assignments Fulltext Access 11 Pages 2006
Interactive cutting of deformable objects using force propagation approach and digital design analogy Fulltext Access 11 Pages 2006
Filling holes in meshes using a mechanical model to simulate the curvature variation minimization Fulltext Access 11 Pages 2006
Trimming local and global self-intersections in offset curves/surfaces using distance maps Fulltext Access 11 Pages 2006
Level-of-detail for data analysis and exploration: A historical overview and some new perspectives Fulltext Access 11 Pages 2006
Symmetry breaking in fields as a methodology for three-dimensional fractal form generation Fulltext Access 11 Pages 2006
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods Fulltext Access 11 Pages 2006