Homology modeling and virtual screening approaches to identify potent inhibitors of slingshot phosphatase 1 Fulltext Access 6 Pages 2013
Iterative construction of Dupin cyclide characteristic circles using non-stationary Iterated Function Systems (IFS) Fulltext Access 6 Pages 2013
Automated bone landmarks prediction on the femur using anatomical deformation technique Fulltext Access 6 Pages 2013
The ‘order-to-disorder’ conformational transition in CD44 protein: An umbrella sampling analysis Fulltext Access 6 Pages 2013
Structural basis of femtomolar inhibitors for acetylcholinesterase subtype selectivity: Insights from computational simulations Fulltext Access 6 Pages 2013
ViewMotions Rainbow: A new method to illustrate molecular motions in proteins Fulltext Access 6 Pages 2013
Design and finite element-based fatigue prediction of a new self-expandable percutaneous mitral valve stent Fulltext Access 6 Pages 2013
Theoretical studies on the common catalytic mechanism of transketolase by using simplified models Fulltext Access 6 Pages 2013
NNO2 bond dissociation energies in acetonitrile: An assessment of contemporary computational methods Fulltext Access 6 Pages 2013
3D shape-based analysis of cell line-specific compound response in cancers Fulltext Access 6 Pages 2013
Theoretical exploration to second-order nonlinear optical properties of new hybrid complexes via coordination interaction between (metallo)porphyrin and [MSiW11O39]3− (M = NbV or VV) polyoxometalates Fulltext Access 6 Pages 2013
Probing the influence of solvent effect on the lithium ion binding affinity of 12-crown-O3N derivatives with unsaturated side arms: A computational study Fulltext Access 7 Pages 2013
An approach for designing a developable surface through a given line of curvature Fulltext Access 7 Pages 2013
Conformational preference of glycinamide in solution: An answer derived from combined experimental and computational studies Fulltext Access 7 Pages 2013
Virtual screening of novel reversible inhibitors for marine alkaline protease MP Fulltext Access 7 Pages 2013
Shape modeling for animated characters using ordinary differential equations Fulltext Access 7 Pages 2013
Identification of adenine nucleotide translocase 4 inhibitors by molecular docking Fulltext Access 7 Pages 2013
Recent advances in sharing standardized STEP composite structure design and manufacturing information Fulltext Access 7 Pages 2013
3D-QSAR studies of azaoxoisoaporphine, oxoaporphine, and oxoisoaporphine derivatives as anti-AChE and anti-AD agents by the CoMFA method Fulltext Access 7 Pages 2013
Efficient Hausdorff Distance computation for freeform geometric models in close proximity Fulltext Access 7 Pages 2013
Molecular dynamic simulation of mGluR5 amino terminal domain: essential dynamics analysis captures the agonist or antagonist behaviour of ligands Fulltext Access 7 Pages 2013
Elucidating binding modes of zuonin A enantiomers to JNK1 via in silico methods Fulltext Access 7 Pages 2013
In silico modeling of the type 2 IDI enzymes of Bacillus licheniformis, Pseudomonas stutzeri, Streptococcus pyogenes, and Staphylococcus aureus for virtual screening of potential inhibitors of this therapeutic target Fulltext Access 7 Pages 2013
Modeling of the energies and splitting of the Qx and Qy bands in positional isomers of zinc pyridinoporphyrazines by TDDFT approach: Can TDDFT help distinguishing the structural isomers? Fulltext Access 8 Pages 2013
Molecular dynamics simulations studies and free energy analysis on inhibitors of MDM2–p53 interaction Fulltext Access 8 Pages 2013
A theoretical study on mechanism of the anticancer drug camptothecin's E-ring-opening Fulltext Access 8 Pages 2013
Parameterization of the proline analogue Aze (azetidine-2-carboxylic acid) for molecular dynamics simulations and evaluation of its effect on homo-pentapeptide conformations Fulltext Access 8 Pages 2013
In silico identification of novel inhibitors against Plasmodium falciparum dihydroorate dehydrogenase Fulltext Access 8 Pages 2013
Towards the identification of the binding site of benzimidazoles to β-tubulin of Trichinella spiralis: Insights from computational and experimental data Fulltext Access 8 Pages 2013
Toward rational design of organic dye sensitized solar cells (DSSCs): An application to the TA-St-CA dye Fulltext Access 8 Pages 2013
Identification of potential bivalent inhibitors from natural compounds for acetylcholinesterase through in silico screening using multiple pharmacophores Fulltext Access 8 Pages 2013
Assessment of new anti-HER2 ligands using combined docking, QM/MM scoring and MD simulation Fulltext Access 8 Pages 2013
Association of nicotinic acid with a poly(amidoamine) dendrimer studied by molecular dynamics simulations Fulltext Access 8 Pages 2013
An in silico approach to evaluate the polyspecificity of methionyl-tRNA synthetases Fulltext Access 8 Pages 2013
Interactive comparison of multifield scalar data based on largest contours Fulltext Access 8 Pages 2013
Morse–Smale decomposition of multivariate transfer function space for separably-sampled volume rendering Fulltext Access 8 Pages 2013
Dimensional and geometrical errors of three-axis CNC milling machines in a virtual machining system Fulltext Access 8 Pages 2013
An accurate and efficient algorithm for determining minimum circumscribed circles and spheres from discrete data points Fulltext Access 8 Pages 2013
Morphological shape generation through user-controlled group metamorphosis Fulltext Access 8 Pages 2013
Entertaining listening by means of the Stanza Logo-Motoria: an Interactive Multimodal Environment Fulltext Access 8 Pages 2013
Complete residential urban area reconstruction from dense aerial LiDAR point clouds Fulltext Access 8 Pages 2013
Adapting user interfaces for gestural interaction with the flexible action and articulated skeleton toolkit Fulltext Access 9 Pages 2013
Bioisosteric approach in designing new monastrol derivatives: An investigation on their ADMET prediction using in silico derived parameters Fulltext Access 9 Pages 2013
Visual copy & paste for procedurally modeled buildings by ruleset rewriting Fulltext Access 9 Pages 2013
Computer modeling on the tautomerization of sulbactam intermediate in SHV-1 β-lactamases: E166A mutant vs. wild type Fulltext Access 9 Pages 2013
Adequate inner bound for geometric modeling with compact field functions Fulltext Access 9 Pages 2013
Teaching a modern graphics pipeline using a shader-based software renderer Fulltext Access 9 Pages 2013
Elucidating the catalytic mechanism of β-secretase (BACE1): A quantum mechanics/molecular mechanics (QM/MM) approach Fulltext Access 9 Pages 2013
Insight into the mechanism of aminomutase reaction: A case study of phenylalanine aminomutase by computational approach Fulltext Access 9 Pages 2013
Multi-conformation dynamic pharmacophore modeling of the peroxisome proliferator-activated receptor γ for the discovery of novel agonists Fulltext Access 9 Pages 2013