Keywords: سطح مولکولی; Poisson-Boltzmann equation; Regularized Poisson-Boltzmann equation; Pseudo-time approach; Finite element method; Molecular surface; Electrostatic free energy;
مقالات ISI سطح مولکولی (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: سطح مولکولی; Molecular surface; Solvent excluded surface; Molecular visualization; Implicit representation; Advancing-front method; Meshing algorithm;
Keywords: سطح مولکولی; Flexibility rigidity index; Rigidity function; Molecular surface; Curvature
Keywords: سطح مولکولی; Molecular surface; Solvent excluded surface; Solvation models; Mathematical description; Constructive algorithm;
Multi-GPU-based detection of protein cavities using critical points
Keywords: سطح مولکولی; Protein cavity detection; Protein pocket detection; Critical point; Molecular surface; CUDA;
Operator splitting ADI schemes for pseudo-time coupled nonlinear solvation simulations
Keywords: سطح مولکولی; Solvation free energy; Molecular surface; Electrostatic potential; Nonlinear Poisson-Boltzmann equation; Operator splitting; Alternating direction implicit scheme;
Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm
Keywords: سطح مولکولی; Molecular surface; Marching Tetrahedra; Electrostatic potential; Average local ionization energy; Interpolation accuracy
3D molecular assembling of B-DNA sequences using nucleotides as building blocks
Keywords: سطح مولکولی; DNA geometry; DNA assembling; DNA shape composition; DNA base stacking; DNA conformations; Molecular surface; Gaussian surface; Molecular modeling; Biomolecular visualization
An extrapolation method for computing protein solvation energies based on density fragmentation of a graphical surface tessellation
Keywords: سطح مولکولی; QM/MM; Moving-domain QM/MM; Continuum solvation; Molecular surface
Topologies of surfaces on molecules and their computation in O(n)O(n) time
Keywords: سطح مولکولی; van der Waals surface; Molecular surface; Solvent-accessible surface; Solvent-excluded surface; Voronoi diagram of spheres; Quasi-triangulation; ββ-shape; ββ-complex; Manifoldization
Poisson–Nernst–Planck equations for simulating biomolecular diffusion–reaction processes I: Finite element solutions
Keywords: سطح مولکولی; Electrodiffusion; Poisson–Nernst–Planck equations; Finite element; Singular charges; Molecular surface; Boundary condition; Conditioning
A fast variational method for the construction of resolution adaptive C2C2-smooth molecular surfaces
Keywords: سطح مولکولی; Variational methods; High-order level-set; Molecular surface; Geometric partial differential equation
Triangulation of molecular surfaces
Keywords: سطح مولکولی; Molecular surface; Blending surface; Solvent contact surface; Triangulation; Mesh; Watertightness; Mask; ββ-shape; Protein; Level-of-detail
Parallel, stochastic measurement of molecular surface area
Keywords: سطح مولکولی; Molecular surface; Parallel; Progressive; GPU; Stochastic; Quasi-random
Effects of introducing negative charges into the molecular surface of thermolysin by site-directed mutagenesis on its activity and stability
Keywords: سطح مولکولی; FAGLA; N-[3-(2-furyl)acryloyl]-glycyl-l-leucine amideMetalloproteinase; Molecular surface; Site-directed mutagenesis; Thermal stability; Thermolysin
Molecular surfaces on proteins via beta shapes
Keywords: سطح مولکولی; Protein; Molecular surface; ββ-shape; Voronoi diagram of atoms; Blending surface
The mechanism of proton transfer between adjacent sites on the molecular surface
Keywords: سطح مولکولی; Proton Transfer; Kinetic isotope effect; Molecular dynamics; Laser induced proton pulse; Molecular surface; Flourescein; Intra-molecular proton transfer; Coloumb cage
Efficient molecular surface generation using level-set methods
Keywords: سطح مولکولی; Molecular surface; Surface generation; Cavity; Visualization; Level sets
Travel Depth, a New Shape Descriptor for Macromolecules: Application to Ligand Binding
Keywords: سطح مولکولی; PDB, Protein Data Bankdepth; molecular surface; ligand binding; structural genomics; computational geometry