Keywords: Ã
; Angstrom; AFM; atomic force microscopy; AMBER; Assisted Model Building and Energy Refinement R. Salomon-Ferrer, D.A. Case, R.C. Walker, An overview of the Amber biomolecular simulation package, WIREs Comput. Mol. Sci. 3 (2012) 198-210; BSA; Bovine s
مقالات ISI (ترجمه نشده)
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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: PAN; polymerase acidic protein N-terminal domain; MD; molecular dynamics; MM/GBSA; molecular mechanics/generalized Born surface area; H5N1; hemagglutinin type 5 and neuraminidase type; M2 protein; matrix protein 2; HIV; human immunodeficiency virus; SBDD;
A Computational workflow for the identification of the potent inhibitor of type II secretion system traffic ATPase of Pseudomonas aeruginosa
Keywords: kj/mol; kilojoule per mol; MD; molecular dynamics; MM; molecular mechanics; MM-GBSA; molecular mechanics - generalized born and surface area; OPLS; optimized potential for liquid simulations; GBSA; generalized-born surface area; PME; particle mesh ewa
In silico interaction analysis of cannabinoid receptor interacting protein 1b (CRIP1b) - CB1 cannabinoid receptor
Keywords: CRIP; cannabinoid receptor interacting protein; FAN; factor associated with neutral sphingomyelinase; GASP; GPCR associated sorting protein; TIP3P; transferable intermolecular potential with 3 points; THC; tetra-hydro cannabinol; DOPE; discrete optimized
Internal abstraction of dynemicin A: An MD approach
Keywords: AMBER; Assisted Model Building with Energy Refinement; CHELPG; charges from electrostatic potentials using a grid-based method; COM; center of mass; MD; molecular dynamics; ONIOM; our own n-layered integrated molecular orbital and molecular mechanics; MMP
A docking model of dapsone bound to HLA-B*13:01 explains the risk of dapsone hypersensitivity syndrome
Keywords: Dapsone; 4,4â²-diaminodiphenylsulfone; DHS; dapsone hypersensitivity syndrome; HLA; human leukocyte antigen; 3D; three-dimensional; MD; molecular dynamics; MM-PBSA; molecular mechanics Poisson-Boltzman surface area; TEN; toxic epidermal necrolysis; SJS;
An approach based on genetic algorithms and DFT for studying clusters: (H2O)n (2 ⩽ n ⩽ 13) cluster analysis
Keywords: Water; Molecular cluster; Genetic algorithm; Optimization; TIP3P; TIP4P; TIP5P; ST2; Empirical potentials; Density functional; DFT; PBE;