Ion–π interaction in impacting the nonlinear optical properties of ion–buckybowl complexes Fulltext Access 8 Pages 2016
Cationic P⋯N interaction in XH3P+⋯NCY complexes (X = H, F, CN, NH2, OH; Y = H, Li, F, Cl) and its cooperativity with hydrogen/lithium/halogen bond Fulltext Access 8 Pages 2016
Minimum time path planning of robotic manipulator in drilling/spot welding tasks Fulltext Access 8 Pages 2016
Tool path planning of hole-making operations in ejector plate of injection mould using modified shuffled frog leaping algorithm Fulltext Access 8 Pages 2016
Theoretical and experimental investigation on the capture of H2S in a series of ionic liquids Fulltext Access 8 Pages 2016
An in-silico approach aimed to clarify the role of Y181C and K103N HIV-1 reverse transcriptase mutations versus Indole Aryl Sulphones Fulltext Access 8 Pages 2016
Coarse-grained bond and angle distributions from atomistic simulations: On the systematic parameterisation of lipid models Fulltext Access 8 Pages 2016
Inclusion complexation of pinostrobin with various cyclodextrin derivatives Fulltext Access 8 Pages 2016
Application of DPD in the design of polymeric nano-micelles as drug carriers Fulltext Access 8 Pages 2016
Homology modeling and molecular docking studies of Drosophila and Aedes sex peptide receptors Fulltext Access 8 Pages 2016
A Total Order Heuristic-Based Convex Hull Algorithm for Points in the Plane Fulltext Access 8 Pages 2016
Docking and ADMET prediction of few GSK-3 inhibitors divulges 6-bromoindirubin-3-oxime as a potential inhibitor Fulltext Access 8 Pages 2016
Second-order nonlinear optical responses of carboranyl-substituted indole/indoline derivatives: impact of different substituents Fulltext Access 8 Pages 2016
The tertiary structures of porcine AhR and ARNT proteins and molecular interactions within the TCDD/AhR/ARNT complex Fulltext Access 8 Pages 2016
A framework for geometry acquisition, 3-D printing, simulation, and measurement of head-related transfer functions with a focus on hearing-assistive devices Fulltext Access 8 Pages 2016
Novel binding patterns between ganoderic acids and neuraminidase: Insights from docking, molecular dynamics and MM/PBSA studies Fulltext Access 8 Pages 2016
The rational motion of minimal dual quaternion degree with prescribed trajectory Fulltext Access 9 Pages 2016
Molecular dynamics at the receptor level of immunodominant myelin oligodendrocyte glycoprotein 35–55 epitope implicated in multiple sclerosis Fulltext Access 9 Pages 2016
Prediction of three-dimensional structures and structural flexibilities of wild-type and mutant cytochrome P450 1A2 using molecular dynamics simulations Fulltext Access 9 Pages 2016
In silico designing of hyper-glycosylated analogs for the human coagulation factor IX Fulltext Access 9 Pages 2016
A theoretical study on the characteristics of the intermolecular interactions in the active site of human androsterone sulphotransferase: DFT calculations of NQR and NMR parameters and QTAIM analysis Fulltext Access 9 Pages 2016
Development of a novel set of criteria to select methodology for designing product service systems Fulltext Access 9 Pages 2016
Visual 3D motion acuity predicts discomfort in 3D stereoscopic environments Fulltext Access 9 Pages 2016
Experiment and DFT studies on radioiodine removal and storage mechanism by imidazolium-based ionic liquid Fulltext Access 9 Pages 2016
Contribution of main chain and side chain atoms and their locations to the stability of thermophilic proteins Fulltext Access 9 Pages 2016
Design and synthesis of a novel class of carbonic anhydrase-IX inhibitor 1-(3-(phenyl/4-fluorophenyl)-7-imino-3H-[1,2,3]triazolo[4,5d]pyrimidin 6(7H)yl)urea Fulltext Access 9 Pages 2016
Slow serious games, interactions and play: Designing for positive and serious experience and reflection Fulltext Access 9 Pages 2016
Registration of dynamic multiview 2D ultrasound and late gadolinium enhanced images of the heart: Application to hypertrophic cardiomyopathy characterization Fulltext Access 9 Pages 2016
A theoretical study of π-stacking interactions in C-substituted tetrazoles Fulltext Access 9 Pages 2016
Tuning of the stability and energy levels of singlet exciton fission relevant excited states of pentacenes by site-specific substitution Fulltext Access 9 Pages 2016
Towards cheminformatics-based estimation of drug therapeutic index: Predicting the protective index of anticonvulsants using a new quantitative structure-index relationship approach Fulltext Access 9 Pages 2016
Virtual screening of eighteen million compounds against dengue virus: Combined molecular docking and molecular dynamics simulations study Fulltext Access 9 Pages 2016
Tautomeric transformation of temozolomide, their proton affinities and chemical reactivities: A theoretical approach Fulltext Access 9 Pages 2016
In-silico bonding schemes to encode chemical bonds involving sharing of electrons in molecular structures Fulltext Access 9 Pages 2016
DFT study of the chlorine promotion effect on the ethylene adsorption over iron clusters Fulltext Access 9 Pages 2016
Surface approximation via sparse representation and parameterization optimization Fulltext Access 9 Pages 2016
Docking, molecular dynamics and QM/MM studies to delineate the mode of binding of CucurbitacinE to F-actin Fulltext Access 9 Pages 2016
Automatic routing of flexible 1D components with functional and manufacturing constraints Fulltext Access 9 Pages 2016
DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalysts Fulltext Access 10 Pages 2016
QM/MM investigation of the reaction rates of substrates of 2,3-dimethylmalate lyase: A catabolic protein isolated from Aspergillus niger Fulltext Access 10 Pages 2016
Modeling the protonation states of β-secretase binding pocket by molecular dynamics simulations and docking studies Fulltext Access 10 Pages 2016
High performance computing for three-dimensional agent-based molecular models Fulltext Access 10 Pages 2016
A graph-based method for fitting planar B-spline curves with intersections Fulltext Access 10 Pages 2016
Compact implicit surface reconstruction via low-rank tensor approximation Fulltext Access 10 Pages 2016
Vectorizing NURBS surface evaluation with basis functions in power basis Fulltext Access 10 Pages 2016
Towards an automated robotic arc-welding-based additive manufacturing system from CAD to finished part Fulltext Access 10 Pages 2016
SURGEM: A solid modeling tool for planning and optimizing pediatric heart surgeries Fulltext Access 10 Pages 2016
Automatic generation of LEGO building instructions from multiple photographic images of real objects Fulltext Access 10 Pages 2016
Geometric characteristics of a class of cubic curves with rational offsets Fulltext Access 10 Pages 2016
Tool path generation for chamfering drill holes of a pipe with constant width Fulltext Access 10 Pages 2016
Nearly convex segmentation of polyhedra through convex ridge separation Fulltext Access 10 Pages 2016
Cutter-workpiece engagement determination for general milling using triangle mesh modeling Fulltext Access 10 Pages 2016
Feature curve extraction from point clouds via developable strip intersection Fulltext Access 10 Pages 2016
Programming of adaptive repair process chains using repair features and function blocks Fulltext Access 10 Pages 2016
Parallel computation of optimal enclosing balls by iterative orthant scan Fulltext Access 10 Pages 2016
Assembly-based conceptual 3D modeling with unlabeled components using probabilistic factor graph Fulltext Access 10 Pages 2016
On the dimension of spline spaces over T-meshes with smoothing cofactor-conformality method Fulltext Access 11 Pages 2016
Boundary-aware hodge decompositions for piecewise constant vector fields Fulltext Access 11 Pages 2016
A closed-form formulation of HRBF-based surface reconstruction by approximate solution Fulltext Access 11 Pages 2016
Towards efficient 5-axis flank CNC machining of free-form surfaces via fitting envelopes of surfaces of revolution Fulltext Access 11 Pages 2016