Keywords: تقسیم مدار مولکولی; Quinodicarbocyanine; Gamma cyclodextrin; Fragment molecular orbital; Soliton; Pseudorotaxane; Bond length alternation;
مقالات ISI تقسیم مدار 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: تقسیم مدار مولکولی; Amyloid precursor protein; Alzheimer's disease; Inhibitor; Fragment molecular orbital; Protein and ligand docking; In silico drug design;
Keywords: تقسیم مدار مولکولی; Molecular simulation; Fragment molecular orbital; Androgen receptor; Antagonist; Specific interactions; Non-steroid compound;
Keywords: تقسیم مدار مولکولی; Zinc metalloproteinases; M4 family; Bacterial virulence factors; Matrix metalloproteinases; Enzyme selective inhibition; Molecular simulation; Protein-ligand docking; Fragment molecular orbital; Molecular mechanics; Protein-ligand interactions;
Proposal of potent inhibitors for vitamin-D receptor based on ab initio fragment molecular orbital calculations
Keywords: تقسیم مدار مولکولی; Molecular simulation; Fragment molecular orbital; Vitamin D receptor; Inhibitor; Protein ligand interactions;
Specific interactions between mycobacterial FtsZ protein and curcumin derivatives: Molecular docking and ab initio molecular simulations
Keywords: تقسیم مدار مولکولی; FtsZ protein; Cell division; Mycobacterium tuberculosis; Inhibitors; Curcumin derivatives; Fragment molecular orbital; Protein ligand interaction;
Specific interactions between vitamin-D receptor and its ligands: Ab initio molecular orbital calculations in water
Keywords: تقسیم مدار مولکولی; Molecular simulation; Fragment molecular orbital; Vitamin D receptor; Modulator; Inhibitor; Protein-ligand interactions;
Specific interactions between amyloid-β peptides in an amyloid-β hexamer with three-fold symmetry: Ab initio fragment molecular orbital calculations in water
Keywords: تقسیم مدار مولکولی; Amyloid beta; Alzheimer's disease; Molecular simulation; Fragment molecular orbital; Molecular mechanics; Protein-protein interaction; Aggregation;
Fragment molecular orbital (FMO) calculations on DNA by a scaled third-order Møller-Plesset perturbation (MP2.5) scheme
Keywords: تقسیم مدار مولکولی; Fragment molecular orbital; FMO; Interaction energy; Perturbation calculation; DNA; Base pair;
Differences in hydration between cis- and trans-platin: Quantum insights by ab initio fragment molecular orbital-based molecular dynamics (FMO-MD)
Keywords: تقسیم مدار مولکولی; cis/trans-Platin; Hydration structure; Fragment molecular orbital; FMO-MD; Charge transfer;
Structure-based rational design of novel hit compounds for pyruvate dehydrogenase multienzyme complex E1 components from Escherichia coli
Keywords: تقسیم مدار مولکولی; Pyruvate dehydrogenase; Structure-based molecular docking; Molecular dynamics simulation; Fragment molecular orbital;
Flexible ligand recognition of peroxisome proliferator-activated receptor-γ (PPARγ)
Keywords: تقسیم مدار مولکولی; PPARγ; Peroxisome proliferator-activated receptor-γ; Ligand recognition; Fragment molecular orbital; Hydrophobic residue;
Examination of numerical accuracy on fragment-DFT calculations with integral values of total electron density functions
Keywords: تقسیم مدار مولکولی; Fragment molecular orbital; Fragment-DFT; Numerical accuracy; Grid pruning; Polypeptide;
Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein
Keywords: تقسیم مدار مولکولی; FMO; fragment molecular orbital; BmPBP; Bombyx mori pheromone-binding protein; BM; bombykol; RMSD; root-mean-square deviation; PDB; Protein Data Bank; RHF; restricted Hartree-Fock; SCF; self-consistent force field; GDDI; generalized distributed data int