Centroidal Voronoi tessellation in universal covering space of manifold surfaces Fulltext Access 22 Pages 2011
Discovery of new renin inhibitory leads via sequential pharmacophore modeling, QSAR analysis, in silico screening and in vitro evaluation Fulltext Access 22 Pages 2011
Segmentation of pulmonary nodules of various densities with morphological approaches and convexity models Fulltext Access 22 Pages 2011
Closed-loop PLM for intelligent products in the era of the Internet of things Fulltext Access 23 Pages 2011
External designers in product design processes of small manufacturing firms Fulltext Access 23 Pages 2011
New reasoning algorithm for assembly tolerance specifications and corresponding tolerance zone types Fulltext Access 23 Pages 2011
What can talk tell us about design?: Analyzing conversation to understand practice Fulltext Access 24 Pages 2011
The effects of physical prototyping and group work on the reduction of design fixation Fulltext Access 24 Pages 2011
An efficient algorithm for constrained global optimization and application to mechanical engineering design: League championship algorithm (LCA) Fulltext Access 24 Pages 2011
The cultural adaptation of web design to local industry styles: A comparative study Fulltext Access 25 Pages 2011
Recent advances in diffusion MRI modeling: Angular and radial reconstruction Fulltext Access 28 Pages 2011
Comparing collaborative co-located and distributed design processes in digital and traditional sketching environments: A protocol study using the function–behaviour–structure coding scheme Fulltext Access 29 Pages 2011
Understanding design skills of the Generation Y: An exploration through the VR-KiDS project Fulltext Access 30 Pages 2011
Developing a knowledge management system for storing and using the design knowledge acquired in the process of a user-centered design of the next generation information appliances Fulltext Access 32 Pages 2011
Creativity through design heuristics: A case study of expert product design Fulltext Access 32 Pages 2011
Impacts of VR 3D sketching on novice designers’ spatial cognition in collaborative conceptual architectural design Fulltext Access 37 Pages 2011
An evaluation of the GLYCAM06 and MM3 force fields, and the PM3-D* molecular orbital method for modelling prototype carbohydrate–aromatic interactions Fulltext Access 5 Pages 2010
Prediction of passive blood–brain partitioning: Straightforward and effective classification models based on in silico derived physicochemical descriptors Fulltext Access 5 Pages 2010
Robust modelling of solubility in supercritical carbon dioxide using Bayesian methods Fulltext Access 5 Pages 2010
Evaluation of various inverse docking schemes in multiple targets identification Fulltext Access 5 Pages 2010
Identification and optimization of key process parameters in noncontact laser scanning for reverse engineering Fulltext Access 5 Pages 2010
In silico designing and optimization of anti-breast cancer antibody mimetic oligopeptide targeting HER-2 in women Fulltext Access 6 Pages 2010
The phosphorylation specificity of B-RAFWT, B-RAFD594V, B-RAFV600E and B-RAFK601E kinases: An in silico study Fulltext Access 6 Pages 2010
Prediction of protein–ligand binding affinities using multiple instance learning Fulltext Access 6 Pages 2010
Synthesis, anticancer activity and docking of some substituted benzothiazoles as tyrosine kinase inhibitors Fulltext Access 6 Pages 2010
Combined pharmacophore and structure-guided studies to identify diverse HSP90 inhibitors Fulltext Access 6 Pages 2010
Triangulation of CAD data for visualization using a compact array-based triangle data structure Fulltext Access 6 Pages 2010
Hyperbolic polynomial uniform B-spline curves and surfaces with shape parameter Fulltext Access 6 Pages 2010
Theoretical prediction of a peptide binding to major histocompatibility complex II Fulltext Access 6 Pages 2010
Molecular docking study for the prediction of enantiodifferentiation of chiral styrene oxides by octakis(2,3-di-O-acetyl-6-O-tert-butyldimethylsilyl)-γ-cyclodextrin Fulltext Access 7 Pages 2010
Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum Fulltext Access 7 Pages 2010
Mechanical unfolding of bacterial flagellar filament protein by molecular dynamics simulation Fulltext Access 7 Pages 2010
Excited-state properties from ground-state DFT descriptors: A QSPR approach for dyes Fulltext Access 7 Pages 2010
Molecular modeling studies of l-arabinitol 4-dehydrogenase of Hypocrea jecorina: Its binding interactions with substrate and cofactor Fulltext Access 7 Pages 2010
The effect of sub-threshold forces on human performance in multi-modal computer-aided design Fulltext Access 7 Pages 2010
Contact model, fit process and, foot animation for the virtual simulator of the footwear comfort Fulltext Access 7 Pages 2010
Complementing ultrafast shape recognition with an optical isomerism descriptor Fulltext Access 7 Pages 2010
Acetylenic inhibitors of ADAM10 and ADAM17: In silico analysis of potency and selectivity Fulltext Access 7 Pages 2010
Molecular insight into the specific binding of ADP-ribose to the nsP3 macro domains of chikungunya and venezuelan equine encephalitis viruses: Molecular dynamics simulations and free energy calculations Fulltext Access 7 Pages 2010
The conditions of convexity for Bernstein–Bézier surfaces over triangles Fulltext Access 7 Pages 2010
First principle study towards the influence of Cd2+ on the morphology of sodium chloride Fulltext Access 7 Pages 2010
Computed NMR shielding increments over benzo-analogs of unsaturated five-membered ring heterocyclic compounds as a measure of aromaticity Fulltext Access 7 Pages 2010
Role of Arg301 in substrate orientation and catalysis in subsite 2 of d-alanine:d-alanine (d-lactate) ligase from Leuconostoc mesenteroides: A molecular docking study Fulltext Access 7 Pages 2010
Identification of potent urease inhibitors via ligand- and structure-based virtual screening and in vitro assays Fulltext Access 7 Pages 2010
Stereoelectronic interaction effects on the conformational properties of hydrogen peroxide and its analogues containing S and Se atoms: An ab initio, hybrid-DFT study and NBO analysis Fulltext Access 7 Pages 2010
Molecular dynamics simulation of the effect of ligand homogeneity on protein behavior in hydrophobic charge induction chromatography Fulltext Access 7 Pages 2010
Accelerating electrostatic surface potential calculation with multi-scale approximation on graphics processing units Fulltext Access 7 Pages 2010
A quantum chemical study on a set of non-imidazole H3 antihistamine molecules Fulltext Access 7 Pages 2010
Structure-based design of carbon nanotubes as HIV-1 protease inhibitors: Atomistic and coarse-grained simulations Fulltext Access 7 Pages 2010
Prediction of blood–brain partitioning: A model based on molecular electronegativity distance vector descriptors Fulltext Access 7 Pages 2010
Binding research on flavones as ligands of β-amyloid aggregates by fluorescence and their 3D-QSAR, docking studies Fulltext Access 8 Pages 2010
Computational approach to ensure the stability of the favorable ATP binding site in E. coli Hfq Fulltext Access 8 Pages 2010
Dimerization of the AtoC response regulator and modelling of its binding to DNA Fulltext Access 8 Pages 2010
The modulation of electronic and optical properties of OXD-X through introduction of the electron-withdrawing groups: A DFT study Fulltext Access 8 Pages 2010
Molecular dynamics and density functional theory studies of substrate binding and catalysis of human brain aspartoacylase Fulltext Access 8 Pages 2010
Interaction of brassinolide with essential amino acid residues: A theoretical approach Fulltext Access 8 Pages 2010
Structural study of carboxylesterase from hyperthermophilic bacteria Geobacillus stearothermophilus by molecular dynamics simulation Fulltext Access 8 Pages 2010
Molecular dynamics investigation of cyclic natriuretic peptides: Dynamic properties reflect peptide activity Fulltext Access 8 Pages 2010
A theoretical study on the efficient reversible redox-based switching of the second-order polarizabilities of two-dimensional nonlinear optical-active donor–acceptor phenanthroline-hexamolybdate Fulltext Access 8 Pages 2010
In silico classification of adenosine receptor antagonists using Laplacian-modified naïve Bayesian, support vector machine, and recursive partitioning Fulltext Access 8 Pages 2010
Theoretical study on the electronic absorption spectra and molecular orbitals of ten novel ruthenium sensitizers derived from N3 and K8 Fulltext Access 8 Pages 2010
Structural stability and electronic property of C68X4 (X = H, F, and Cl) fullerene compounds Fulltext Access 8 Pages 2010
Force field design and molecular dynamics simulations of factor-inhibiting HIF-1 and its complex with known inhibitors: Implications for rational inhibitor design Fulltext Access 8 Pages 2010
Theoretical investigation of the interaction of glycerol with aluminum and magnesium phthalocyanines Fulltext Access 8 Pages 2010