Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach Fulltext Access 43 Pages 2018
Identification and analyses of natural compounds as potential inhibitors of TRAF6-Basigin interactions in melanoma using structure-based virtual screening and molecular dynamics simulations Fulltext Access 44 Pages 2018
(Re-) Meshing using interpolative mapping and control point optimization Fulltext Access 44 Pages 2018
Metal chelating ability and antioxidant properties of Curcumin-metal complexes - A DFT approach Fulltext Access 44 Pages 2018
Myocardial strain computed at multiple spatial scales from tagged magnetic resonance imaging: Estimating cardiac biomarkers for CRT patients Fulltext Access 44 Pages 2018
Non-parametric graphnet-regularized representation of dMRI in space and time Fulltext Access 45 Pages 2018
The effect of different Ï-bridge configuration on bi-anchored triphenylamine and phenyl modified triphenylamine based dyes for dye sensitized solar cell (DSSC) application: A theoretical approach Fulltext Access 45 Pages 2018
Trapping of 1,2-cyclohexadiene: A DFT mechanistic study on the reaction of 1,2-cyclohexadiene with olefins and nitrones Fulltext Access 45 Pages 2018
Weighted regularized statistical shape space projection for breast 3D model reconstruction Fulltext Access 46 Pages 2018
Relating conversational topics and toxic behavior effects in a MOBA game Fulltext Access 46 Pages 2018
Opposition multiple objective symbiotic organisms search (OMOSOS) for time, cost, quality and work continuity tradeoff in repetitive projects Fulltext Access 47 Pages 2018
Applying novelty detection to identify model element to IFC class misclassifications on architectural and infrastructure Building Information Models Fulltext Access 48 Pages 2018
â-constraint heat transfer search (â-HTS) algorithm for solving multi-objective engineering design problems Fulltext Access 48 Pages 2018
The stability, kinetics and inter-fragment electron communication of the tautomers of twelve selected β-diketone molecules: A computational study Fulltext Access 49 Pages 2018
Algorithms for left atrial wall segmentation and thickness - Evaluation on an open-source CT and MRI image database Fulltext Access 51 Pages 2018
Modeling, dynamics and phosphoinositide binding of the pleckstrin homology domain of two novel PLCs: η1 and η2 Fulltext Access 51 Pages 2018
An empirical comparison of first-person shooter information displays: HUDs, diegetic displays, and spatial representations Fulltext Access 52 Pages 2018
DeepMitosis: Mitosis detection via deep detection, verification and segmentation networks Fulltext Access 53 Pages 2018
Effect of PDGF-B aptamer on PDGFRβ/PDGF-B interaction: Molecular dynamics study Fulltext Access 61 Pages 2018
In silico identification and analysis of the binding site for aminocoumarin type inhibitors in the C-terminal domain of Hsp90 Fulltext Access 62 Pages 2018
Ligand-based computer aided drug design reveals new tropomycin receptor kinase a (TrkA) inhibitors Fulltext Access 64 Pages 2018
Understanding the molecular basis of stability in Kunitz (STI) family of inhibitors in terms of a conserved core tryptophan residue: A theoretical investigation Fulltext Access 4 Pages 2017
Zoology 3D: Creating a digital collection of specimens from the Dâ²Arcy Thompson Zoology Museum Fulltext Access 5 Pages 2017
A 3D approach to the archaeological study of the built remains at the Santa Cristina well sanctuary, Sardinia, Italy Fulltext Access 6 Pages 2017
Conformational Study of the Structure of dibenzo-18-crown-6. Comparison with 18-crown-6 Fulltext Access 6 Pages 2017
Identification of peptide-mediated interactions between human PTTG and SH3 domains in pALL gene expression profile Fulltext Access 6 Pages 2017
Toward an ab initio potential energy surface for paclitaxel: A C-13 isoserine side chain conformational study Fulltext Access 7 Pages 2017
Exploring the possibility to store the mixed oxygen-hydrogen cluster in clathrate hydrate in molar ratio 1:2 (O2Â +Â 2H2) Fulltext Access 7 Pages 2017
MudGet: Reproduction of the desired lighting environment using a smart-LED Fulltext Access 7 Pages 2017
Conformational heterogeneity in CCR7 undergoes transitions to specific states upon ligand binding Fulltext Access 7 Pages 2017
Probing the stereospecificity of tyrosyl- and glutaminyl-tRNA synthetase with molecular dynamics Fulltext Access 8 Pages 2017
Homology modeling and molecular dynamics simulation of the HIF2α degradation-related HIF2α-VHL complex Fulltext Access 8 Pages 2017
Identifying trends in hydration behavior for modifications to the hydrophobicity of poly(n-isopropylacrylamide) Fulltext Access 8 Pages 2017
De novo lead optimization of triazine derivatives identifies potent antimalarials Fulltext Access 8 Pages 2017
Comprehensive comparison of twenty structural characterization scales applied as QSAM of antimicrobial dodecapeptides derived from Bac2A against P. aeruginosa Fulltext Access 8 Pages 2017
Conf-VLKA: A structure-based revisitation of the Virtual Lock-and-key Approach Fulltext Access 8 Pages 2017
Effects of mutations on active site conformation and dynamics of RNA-dependent RNA polymerase from Coxsackievirus B3 Fulltext Access 8 Pages 2017
Regression model for predicting pathogenic properties of SOD1 mutants based on the analysis of conformational stability and conservation of hydrogen bonds Fulltext Access 8 Pages 2017
Extending donor size in D-A-Ï-A organic dye for dye sensitized solar cells: Anti-aggregation and improving electron injection Fulltext Access 8 Pages 2017
Asymmetry of Caddo ceramics from the Washington Square Mound site: An exploratory analysis Fulltext Access 8 Pages 2017
Probing the inhibitory activity of epigallocatechin-gallate on toxic aggregates of mutant (L84F) SOD1 protein through geometry based sampling and steered molecular dynamics Fulltext Access 8 Pages 2017
The solvent (water) and metal effects on HOMO-LUMO gaps of guanine base pair: A computational study Fulltext Access 8 Pages 2017
Comparative analysis of polyspecificity of the endogenous tRNA synthetase of different expression host towards photocrosslinking amino acids using an in silico approach Fulltext Access 8 Pages 2017
Entropy generation as a practical tool of optimisation for non-Newtonian nanofluid flow through a permeable stretching surface using SLM Fulltext Access 8 Pages 2017
Computational study for the circular redox reaction of N2O with CO catalyzed by fullerometallic cations C60Fe+ and C70Fe+ Fulltext Access 8 Pages 2017
Pharmacophore searching: A potential solution for correcting unknown ligands (UNK) labelling errors in Protein Data Bank (PDB'S) Fulltext Access 8 Pages 2017
Identification of Mycobacterium tuberculosis enoyl-acyl carrier protein reductase inhibitors: A combined in-silico and in-vitro analysis Fulltext Access 9 Pages 2017
Performance measurement of plate fin heat exchanger by exploration: ANN, ANFIS, GA, and SA Fulltext Access 9 Pages 2017
Embracing chemical and structural diversity with UCONGA: A universal conformer generation and analysis program Fulltext Access 9 Pages 2017
AutoGrow 3.0: An improved algorithm for chemically tractable, semi-automated protein inhibitor design Fulltext Access 9 Pages 2017
Virtual and augmented reality for rich interaction with cultural heritage sites: A case study from the Roman Theater at Byblos Fulltext Access 9 Pages 2017
Comparative in silico analyses of Cannabis sativa, Prunella vulgaris and Withania somnifera compounds elucidating the medicinal properties against rheumatoid arthritis Fulltext Access 9 Pages 2017
Unbinding pathway energy of glyphosate from the EPSPs enzyme binding site characterized by Steered Molecular Dynamics and Potential of Mean Force Fulltext Access 9 Pages 2017
Modeling global changes induced by local perturbations to the HIV-1 capsid Fulltext Access 9 Pages 2017
Interactive modeling of smooth manifold meshes with arbitrary topology: G1 stitched bi-cubic Bézier patches Fulltext Access 10 Pages 2017
Catalytic hydrogenation of CO2 over Pt- and Ni-doped graphene: A comparative DFT study Fulltext Access 10 Pages 2017
3D Photogrammetry, capacity, filling time and water flow simulation of Cordoba's Mosque-Cathedral Islamic cistern Fulltext Access 10 Pages 2017
Articulated clinician detection using 3D pictorial structures on RGB-D data Fulltext Access 10 Pages 2017
Visualising literary heritage: A viable approach? The case of the Panpoëticon Batavûm (1772-1780) Fulltext Access 10 Pages 2017
Unravelling the structural interactions between PKR kinase domain and its small molecule inhibitors using computational approaches Fulltext Access 10 Pages 2017
Quality assessment of volume compression approaches using isovalue clustering Fulltext Access 10 Pages 2017
Interlocked archimedean spirals for conversion of planar rigid panels into locally flexible panels with stiffness control Fulltext Access 10 Pages 2017
Linear Ï-holeâ¯COâ¯Ï-hole intermolecular interactions between carbon monoxide and dihalogen molecules XY (X, Y = Cl, Br) Fulltext Access 10 Pages 2017
2D wavelet transform data compression with error level guarantee for Z-map models Fulltext Access 10 Pages 2017
Segmentation of lumen and outer wall of abdominal aortic aneurysms from 3D black-blood MRI with a registration based geodesic active contour model Fulltext Access 10 Pages 2017
Digital Anastylosis of the Remains of a Portal by Master Builder Hernán Ruiz: Knowledge Strategies, Methods and Modelling Results Fulltext Access 10 Pages 2017
Perception of noise and global illumination: Toward an automatic stopping criterion based on SVM Fulltext Access 10 Pages 2017
A new size-expanded RNA alphabet: Computational design of benzo-homologated (xtz-) isothiazole RNA and comparisons to the x-thieno RNA Fulltext Access 11 Pages 2017
In silico interaction analysis of cannabinoid receptor interacting protein 1b (CRIP1b) - CB1 cannabinoid receptor Fulltext Access 11 Pages 2017
The contribution of 3D visual technology to the study of Palaeolithic knapped stones based on refitting Fulltext Access 11 Pages 2017
Automatic segmentation approach to extracting neonatal cerebral ventricles from 3D ultrasound images Fulltext Access 11 Pages 2017
A transmedia storytelling system to transform recorded film memories into visual history Fulltext Access 11 Pages 2017
Automatic decomposition of 3D solids into contractible pieces using Reeb graphs Fulltext Access 11 Pages 2017
Effect of the solvent on the conformational behavior of the alanine dipeptide deduced from MD simulations Fulltext Access 11 Pages 2017
The effects of fluorine substitution on the chemical properties and inhibitory capacity of Donepezil anti-Alzheimer drug; density functional theory and molecular docking calculations Fulltext Access 11 Pages 2017
Hierarchical Forman Triangulation: A multiscale model for scalar field analysis Fulltext Access 11 Pages 2017
Hessian-constrained detail-preserving 3D implicit reconstruction from raw volumetric dataset Fulltext Access 11 Pages 2017
Special Issue on Cyberworlds 2016High accuracy pixel-wise spatial calibration of optical see-through glasses Fulltext Access 11 Pages 2017
Inhibition activities of catechol diether based non-nucleoside inhibitors against the HIV reverse transcriptase variants: Insights from molecular docking and ONIOM calculations Fulltext Access 12 Pages 2017
SADEA-II: A generalized method for efficient global optimization of antenna design Fulltext Access 12 Pages 2017
A graph theoretic approach for computing 3D+time biventricular cardiac strain from tagged MRI data Fulltext Access 12 Pages 2017
Construction of bounding volume hierarchies with SAH cost approximation on temporary subtrees Fulltext Access 12 Pages 2017