Molecular dynamics simulations of mutated Mycobacterium tuberculosisl-alanine dehydrogenase to illuminate the role of key residues Fulltext Access 10 Pages 2014
Theoretical investigation on gas-phase reaction of CF3CH2OCH3 with OH radicals and fate of alkoxy radicals (CF3CH(O)OCH3/CF3CH2OCH2O) Fulltext Access 10 Pages 2014
Molecular dynamics analysis of the interaction between the human BCL6 BTB domain and its SMRT, NcoR and BCOR corepressors: The quest for a consensus dynamic pharmacophore Fulltext Access 10 Pages 2014
A bag of words approach to subject specific 3D human pose interaction classification with random decision forests Fulltext Access 10 Pages 2014
A single amino acid change humanizes long-chain fatty acid binding and activation of mouse peroxisome proliferator-activated receptor α Fulltext Access 10 Pages 2014
Theoretical prediction of structural, vibrational and NMR parameters of plastic optical fiber (POF) material precursors. Cis and trans perhydro- and perfluoro-2-methylene-4,5-dimethyl-1,3-dioxolanes Fulltext Access 10 Pages 2014
Mechanistic insights into the catalytic reaction of plant allene oxide synthase (pAOS) via QM and QM/MM calculations Fulltext Access 10 Pages 2014
Probing the binding site characteristics of HSA: A combined molecular dynamics and cheminformatics investigation Fulltext Access 10 Pages 2014
Multi-generational pharmacophore modeling for ligands to the cholane steroid-recognition site in the β1 modulatory subunit of the BKCa channel Fulltext Access 10 Pages 2014
Identifying potential selective fluorescent probes for cancer-associated protein carbonic anhydrase IX using a computational approach Fulltext Access 10 Pages 2014
Constrained geometric simulation of the nicotinic acetylcholine receptor Fulltext Access 10 Pages 2014
Multivariate SAR and QSAR of cucurbitacin derivatives as cytotoxic compounds in a human lung adenocarcinoma cell line Fulltext Access 10 Pages 2014
An electronic environment and contact direction sensitive scoring function for predicting affinities of protein–ligand complexes in Contour® Fulltext Access 10 Pages 2014
Discrete event simulation of Maglev transport considering traffic waves Fulltext Access 10 Pages 2014
Characterization of CO2 and mixed methane/CO2 hydrates intercalated in smectites by means of atomistic calculations Fulltext Access 11 Pages 2014
Structure-based drug design of small molecule SIRT1 modulators to treat cancer and metabolic disorders Fulltext Access 11 Pages 2014
A DFT study on the physical adsorption of cyclophosphamide derivatives on the surface of fullerene C60 nanocage Fulltext Access 11 Pages 2014
Allosteric pocket of the dengue virus (serotype 2) NS2B/NS3 protease: In silico ligand screening and molecular dynamics studies of inhibition Fulltext Access 11 Pages 2014
Interaction energy analysis on specific binding of influenza virus hemagglutinin to avian and human sialosaccharide receptors: Importance of mutation-induced structural change Fulltext Access 11 Pages 2014
MaterialVis: Material visualization tool using direct volume and surface rendering techniques Fulltext Access 11 Pages 2014
Multi-morphology transition hybridization CAD design of minimal surface porous structures for use in tissue engineering Fulltext Access 11 Pages 2014
Classical force field parameters for two high-affinity ligands of FKBP12 Fulltext Access 11 Pages 2014
DIRBoost–An algorithm for boosting deformable image registration: Application to lung CT intra-subject registration Fulltext Access 11 Pages 2014
Automatic segmentation of intra-cochlear anatomy in post-implantation CT of unilateral cochlear implant recipients Fulltext Access 11 Pages 2014
Stereoelectronic explanations for the mechanistic details of transimination and HF elimination reactions Fulltext Access 11 Pages 2014
A Hermite interpolatory subdivision scheme for C2-quintics on the Powell-Sabin 12-split Fulltext Access 11 Pages 2014
Insight into the structural mechanism for PKBα allosteric inhibition by molecular dynamics simulations and free energy calculations Fulltext Access 11 Pages 2014
Computing a compact spline representation of the medial axis transform of a 2D shape Fulltext Access 11 Pages 2014
Swendsen-Wang Cuts sampling for spatially constrained Dirichlet process mixture models Fulltext Access 11 Pages 2014
Dupin cyclide blends between non-natural quadrics of revolution and concrete shape modeling applications Fulltext Access 11 Pages 2014
Extraction of generative processes from B-Rep shapes and application to idealization transformations Fulltext Access 11 Pages 2014
A sweep and translate algorithm for computing voxelized 3D Minkowski sums on the GPU Fulltext Access 11 Pages 2014
Discrete ordinate method for polarized light transport solution and subsurface BRDF computation Fulltext Access 11 Pages 2014
Compensation of geometrical errors of CAM/CNC machined parts by means of 3D workpiece model adaptation Fulltext Access 11 Pages 2014
Development of a simulated living-environment platform: Design of BCI assistive software and modeling of a virtual dwelling place Fulltext Access 12 Pages 2014
A structure-preserving matrix method for the deconvolution of two Bernstein basis polynomials Fulltext Access 12 Pages 2014
Digital facial dysmorphology for genetic screening: Hierarchical constrained local model using ICA Fulltext Access 12 Pages 2014
Model-guided respiratory organ motion prediction of the liver from 2D ultrasound Fulltext Access 12 Pages 2014
Iterative refinement of hierarchical TT-meshes for bases of spline spaces with highest order smoothness Fulltext Access 12 Pages 2014
Fully automatic segmentation of the mitral leaflets in 3D transesophageal echocardiographic images using multi-atlas joint label fusion and deformable medial modeling Fulltext Access 12 Pages 2014
Identifying group discriminative and age regressive sub-networks from DTI-based connectivity via a unified framework of non-negative matrix factorization and graph embedding Fulltext Access 12 Pages 2014
Focused shape models for hip joint segmentation in 3D magnetic resonance images Fulltext Access 12 Pages 2014
Theoretical study of γ-hexachlorocyclohexane and β-hexachlorocyclohexane isomers interaction with surface groups of activated carbon model Fulltext Access 12 Pages 2014
Correspondence between fMRI and SNP data by group sparse canonical correlation analysis Fulltext Access 12 Pages 2014
A spatial analysis of the JBA headquarters in Splinter Cell: Double Agent Fulltext Access 12 Pages 2014
In-vivo segmentation and quantification of coronary lesions by optical coherence tomography images for a lesion type definition and stenosis grading Fulltext Access 12 Pages 2014
Study on the disulfide bond and disulfide loop of native and mutated SOD1 protein Fulltext Access 12 Pages 2014
A comparison of three design tree based search algorithms for the detection of engineering parts constructed with CATIA V5 in large databases Fulltext Access 12 Pages 2014
In silico screening and study of novel ERK2 inhibitors using 3D QSAR, docking and molecular dynamics Fulltext Access 12 Pages 2014
The conformational behavior, geometry and energy parameters of Menshutkin-like reaction of O-isopropylidene-protected glycofuranoid mesylates in view of DFT calculations Fulltext Access 12 Pages 2014
Intelligent 3D packing using a grouping algorithm for automotive container engineering Fulltext Access 12 Pages 2014
A new sketch-based 3D model retrieval approach by using global and local features Fulltext Access 12 Pages 2014
An improvement on the upper bounds of the magnitudes of derivatives of rational triangular Bézier surfaces Fulltext Access 12 Pages 2014
ExpoBlend: Information preserving exposure blending based on normalized log-domain entropy Fulltext Access 12 Pages 2014
Visualization of graphical data in a user-specified 2D space using a weighted Isomap method Fulltext Access 12 Pages 2014
Effect of D23N mutation on the dimer conformation of amyloid β-proteins: Ab initio molecular simulations in water Fulltext Access 12 Pages 2014
Planar C1C1 Hermite interpolation with PH cuts of degree (1,3)(1,3) of Laurent series Fulltext Access 12 Pages 2014
C2 interpolation of spatial data subject to arc-length constraints using Pythagorean–hodograph quintic splines Fulltext Access 13 Pages 2014
Homology modeling of T. cruzi and L. major NADH-dependent fumarate reductases: Ligand docking, molecular dynamics validation, and insights on their binding modes Fulltext Access 13 Pages 2014
Discovery of high affinity ligands for β2-adrenergic receptor through pharmacophore-based high-throughput virtual screening and docking Fulltext Access 13 Pages 2014
Conversion of trimmed NURBS surfaces to Catmull-Clark subdivision surfaces Fulltext Access 13 Pages 2014
Antileishmanial phytochemical phenolics: Molecular docking to potential protein targets Fulltext Access 13 Pages 2014
A multi-user selective undo/redo approach for collaborative CAD systems Fulltext Access 13 Pages 2014
Diffeomorphic metric mapping and probabilistic atlas generation of hybrid diffusion imaging based on BFOR signal basis Fulltext Access 13 Pages 2014
Respiratory motion correction in dynamic MRI using robust data decomposition registration - Application to DCE-MRI Fulltext Access 13 Pages 2014
Modeling structure-activity relationships of prodiginines with antimalarial activity using GA/MLR and OPS/PLS Fulltext Access 13 Pages 2014
Fibrous structures: An integrative approach to design computation, simulation and fabrication for lightweight, glass and carbon fibre composite structures in architecture based on biomimetic design principles Fulltext Access 13 Pages 2014
Extended 3D annotations as a new mechanism to explicitly communicate geometric design intent and increase CAD model reusability Fulltext Access 13 Pages 2014
Using thermodynamic integration MD simulation to compute relative protein–ligand binding free energy of a GSK3β kinase inhibitor and its analogs Fulltext Access 13 Pages 2014
Progressive and iterative approximation for least squares B-spline curve and surface fitting Fulltext Access 13 Pages 2014
Interpreting the semantics of GD&T specifications of a product for tolerance analysis Fulltext Access 13 Pages 2014
A collaborative resource to build consensus for automated left ventricular segmentation of cardiac MR images Fulltext Access 13 Pages 2014
In silico design of small molecule inhibitors of CDK9/cyclin T1 interaction Fulltext Access 13 Pages 2014
Characterization of U-shape streamline fibers: Methods and applications Fulltext Access 13 Pages 2014
Stereoselective propagation in free radical polymerization of acrylamides: A DFT study Fulltext Access 13 Pages 2014