A bibliometric analysis of the Journal of Molecular Graphics and Modelling Fulltext Access 5 Pages 2007
Cation–π interaction in potassium–polyene complexes and the fate of potassium ion: A theoretical study Fulltext Access 5 Pages 2007
DFT study on the structures and properties of 3-nitro-1,2,4-triazol-5-one crystals at high pressure Fulltext Access 5 Pages 2007
A simple method to calculate the accessible volume of protein-bound ligands: Application for ligand selectivity Fulltext Access 5 Pages 2007
Structural and functional behavior of biologically active monomeric melittin Fulltext Access 6 Pages 2007
Improved method of multicriteria fuzzy decision-making based on vague sets Fulltext Access 6 Pages 2007
Investigating the utility of momentum-space descriptors for predicting blood–brain barrier penetration Fulltext Access 6 Pages 2007
On the application of CAD technology for the synthesis of spatial revolute–revolute dyads Fulltext Access 6 Pages 2007
The intercalation of DNA double helices with doxorubicin and nagalomycin Fulltext Access 6 Pages 2007
Structural and electron properties of the highest epoxygenated fullerene C60O30, a DFT study Fulltext Access 6 Pages 2007
High throughput processing of the structural information in the protein data bank Fulltext Access 6 Pages 2007
A quantum chemical study of the mechanism of action of Vitamin K carboxylase (VKC) : III. Intermediates and transition states Fulltext Access 6 Pages 2007
Molecular dynamics analysis of HIV-1 matrix protein: Clarifying differences between crystallographic and solution structures Fulltext Access 7 Pages 2007
Constrained curve drawing using trigonometric splines having shape parameters Fulltext Access 7 Pages 2007
Quantitative structure spectroscopy relationships of carbon-13 nuclear magnetic resonance chemical shifts of steroids Fulltext Access 7 Pages 2007
GPU based real-time instrument tracking with three-dimensional ultrasound Fulltext Access 7 Pages 2007
3D QSAR comparative molecular field analysis on nonsteroidal farnesoid X receptor activators Fulltext Access 7 Pages 2007
Computation of through-space NMR shielding effects by aromatic ring–cation complexes: Substantial synergistic effect of complexation Fulltext Access 7 Pages 2007
Pyrolysis mechanism of carbon matrix precursor cyclohexane—The formation of condensed-ring aromatics and the growing process of molecules Fulltext Access 7 Pages 2007
Three hydrolases and a transferase: Comparative analysis of active-site dynamics via the BioSimGrid database Fulltext Access 7 Pages 2007
Improved bounds on partial derivatives of rational triangular Bézier surfaces Fulltext Access 7 Pages 2007
Multi-objective optimization of an auto panel drawing die face design by mesh morphing Fulltext Access 7 Pages 2007
Curvature computations for n-manifolds in Rn+m and solution to an open problem proposed by R. Goldman Fulltext Access 7 Pages 2007
Error analysis of reparametrization based approaches for curve offsetting Fulltext Access 7 Pages 2007
Statistical analysis of the stereolithographic process to improve the accuracy Fulltext Access 7 Pages 2007
Prediction of cytotoxicity data (CC50) of anti-HIV 5-pheny-l-phenylamino-1H-imidazole derivatives by artificial neural network trained with Levenberg–Marquardt algorithm Fulltext Access 8 Pages 2007
Accurate geometrical constraints for the computer aided modelling of the human upper limb Fulltext Access 8 Pages 2007
Estimation of the 3D self-similarity parameter of trabecular bone from its 2D projection Fulltext Access 8 Pages 2007
A DFT-based quantum theoretic QSAR study of aromatic and heterocyclic sulfonamides as carbonic anhydrase inhibitors against isozyme, CA-II Fulltext Access 8 Pages 2007
Insight into analysis of interactions of saquinavir with HIV-1 protease in comparison between the wild-type and G48V and G48V/L90M mutants based on QM and QM/MM calculations Fulltext Access 8 Pages 2007
A theoretical study on protonation of some halogen substituted pyridine derivatives Fulltext Access 8 Pages 2007
Molecular docking and analysis of interactions between vascular endothelial growth factor (VEGF) and SPARC protein Fulltext Access 8 Pages 2007
A quantum chemical study of the mechanism of action of Vitamin K epoxide reductase (VKOR) : II. Transition states Fulltext Access 8 Pages 2007
A general QSPR model for the prediction of θ (lower critical solution temperature) in polymer solutions with topological indices Fulltext Access 8 Pages 2007
A hybrid pixel-based classification method for blood vessel segmentation and aneurysm detection on CTA Fulltext Access 8 Pages 2007
On PH quintic spirals joining two circles with one circle inside the other Fulltext Access 8 Pages 2007
Detection of closed sharp edges in point clouds using normal estimation and graph theory Fulltext Access 8 Pages 2007
Differences in electrostatic potential around DNA fragments containing adenine and 8-oxo-adenine: An analysis based on regular cylindrical projection Fulltext Access 8 Pages 2007
Density functional theory study of the inner hydrogen atom transfer in metal-free porphyrins: Meso-substitutional effects Fulltext Access 8 Pages 2007
Splines in the parameter domain of surfaces and their application in filament winding Fulltext Access 8 Pages 2007
Analysing the pH-dependent properties of proteins using pKa calculations Fulltext Access 9 Pages 2007
Classification of α-cyclodextrins inclusion complexes into Type 1 and Type 2: A prelude to log K prediction Fulltext Access 9 Pages 2007
Empirical rules facilitate the search for binding sites on protein surfaces Fulltext Access 9 Pages 2007
Modelling the restoration of wild-type dynamic behaviour in ΔF508-CFTR NBD1 by 8-cyclopentyl-1,3-dipropylxanthine Fulltext Access 9 Pages 2007
Structure-based prediction of MHC–peptide association: Algorithm comparison and application to cancer vaccine design Fulltext Access 9 Pages 2007
The molecular dynamics of assembly of the ubiquitous aortic medial amyloidal medin fragment Fulltext Access 9 Pages 2007
Pattern recognition methods investigation of ellipticines structure–activity relationships Fulltext Access 9 Pages 2007
Stepwise dissection and visualization of the catalytic mechanism of haloalkane dehalogenase LinB using molecular dynamics simulations and computer graphics Fulltext Access 9 Pages 2007
Drug design: New inhibitors for HIV-1 protease based on Nelfinavir as lead Fulltext Access 9 Pages 2007
The photodissociation of ozone: A quasi-classical approach to a quantum dynamics problem Fulltext Access 9 Pages 2007
Biomechanical study of lumbar spine with dynamic stabilization device using finite element method Fulltext Access 9 Pages 2007
Computing a family of skeletons of volumetric models for shape description Fulltext Access 9 Pages 2007
Theoretically-based algorithms for robustly tracking intersection curves of deforming surfaces Fulltext Access 9 Pages 2007
Real-time haptic incision simulation using FEM-based discontinuous free-form deformation Fulltext Access 9 Pages 2007
The application of fractal geometry to the design of grid or reticulated shell structures Fulltext Access 9 Pages 2007
A formal theory for estimating defeaturing-induced engineering analysis errors Fulltext Access 9 Pages 2007
Modeling of αk/γ2 (k = 1, 2, 3 and 5) interface of GABAA receptor and docking studies with zolpidem: Implications for selectivity Fulltext Access 9 Pages 2007
A digital mock-up visualization system capable of processing giga-scale CAD models Fulltext Access 9 Pages 2007
Development of CoMFA models of affinity and selectivity to angiotensin II type-1 and type-2 receptors Fulltext Access 9 Pages 2007
QSAR method for prediction of protein-peptide binding affinity: Application to MHC class I molecule HLA-A*0201 Fulltext Access 9 Pages 2007
Mode of action-based local QSAR modeling for the prediction of acute toxicity in the fathead minnow Fulltext Access 9 Pages 2007
Conformation of sulfated galactan and sulfated fucan in aqueous solutions: Implications to their anticoagulant activities Fulltext Access 9 Pages 2007
Molecular modeling study of β-cyclodextrin complexes with (+)-catechin and (−)-epicatechin Fulltext Access 9 Pages 2007
Structural and chemical basis for enhanced affinity and potency for a large series of estrogen receptor ligands: 2D and 3D QSAR studies Fulltext Access 9 Pages 2007