Keywords: طراحی دارو با کمک کامپیوتر; Structure-based design; Hydration sites; WaterMap; 3D RISM; Computer-aided drug design;
مقالات ISI طراحی دارو با کمک کامپیوتر (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: طراحی دارو با کمک کامپیوتر; ACN; acetonitrile; ADMET; absorption, distribution, metabolism, excretion and toxicity; Caco2; in vitro Caco2 cell permeability (Human colorectal carcinoma); ANN; artificial neural networks; CADD; computer-aided drug design; DAD; diode array detector; ECC
Recent advancements in the development of anti-tuberculosis drugs
Keywords: طراحی دارو با کمک کامپیوتر; ADRs; adverse drug reactions; AG; arabinogalactan; AhpE; alkylhydroperoxide reductase E; Alr; d-alanine racemase; AMP; adenosine monophosphate; AnPRT; anthranilate phosphoribosyltransferase; ATP; adenosine triphosphate; BTZ; benzothiazinone; CADD; compute
Keywords: طراحی دارو با کمک کامپیوتر; Computer-Aided Drug Design; Molecular Dynamics Simulation; Binding kinetics; Drug-target residence time; Diseño de fármacos asistido por ordenador; Dinámica de simulación molecular; Cinética de unión; Tiempo de residencia fármaco-diana;
Keywords: طراحی دارو با کمک کامپیوتر; Computer-Aided Drug Design; Molecular Dynamics Simulation; Binding kinetics; Drug-target residence time; Diseño de fármacos asistido por ordenador; Dinámica de simulación molecular; Cinética de unión; Tiempo de residencia fármaco-diana;
Keywords: طراحی دارو با کمک کامپیوتر; HDAC6 selective inhibitor; Computer-aided drug design; Anti-sepsis; HDAC; histone deacetylase; LPS; lipopolysaccharide; HDACi; histone deacetylase inhibitors; IL; interleukin; IFNγ; interferon γ; TNF-α; tumor necrosis factor-α; ZBD; zinc-binding group
Keywords: طراحی دارو با کمک کامپیوتر; Alzheimer's disease; Amyloid-β; β-secretases; γ-secretases; Computer-Aided Drug Design; AD; Alzheimer's disease; Aβ1-40; beta-Amyloid isoform 40 amino acids in length; Aβ1-42; beta-Amyloid isoform 42 amino acids in length; NMDA; N-Methyl-d-aspart
Keywords: طراحی دارو با کمک کامپیوتر; Traumatic brain injury; Metabotropic glutamate receptor; Neuroprotection; Computer-aided drug design; Positive allosteric modulator
Keywords: طراحی دارو با کمک کامپیوتر; dissolution; diffusion; dissolution rate; mathematical model; in silico modeling; simulations; particle size; in vitro models; solubility; computer-aided drug design
Keywords: طراحی دارو با کمک کامپیوتر; Drug-likeness; ADMET; Traditional Chinese medicines; Machine learning; Computer-aided drug design; Virtual screening;
Keywords: طراحی دارو با کمک کامپیوتر; Computer-aided drug design; QSPR; crystals; drug design; drug-like properties; molecular modeling; physical characterization; physicochemical properties
Keywords: طراحی دارو با کمک کامپیوتر; Conformational selection; Allostery; Molecular dynamics; Receptor flexibility; Computer-aided drug design; Accelerated molecular dynamics;
Structure-based identification of inhibitors targeting obstruction of the HIVgp41 N-heptad repeat trimer
Keywords: طراحی دارو با کمک کامپیوتر; HIV; gp41; Docking; DOCK; Virtual screening; Footprint similarity; Hungarian similarity; Viral entry; Structure-based drug design; Computer-aided drug design;
QSAR model for blood-brain barrier permeation
Keywords: طراحی دارو با کمک کامپیوتر; QSAR; Blood-brain barrier; Monte Carlo method; Computer-aided drug design; CORAL software;
Discovery of substituted oxadiazoles as a novel scaffold for DNA gyrase inhibitors
Keywords: طراحی دارو با کمک کامپیوتر; 1,2,4-Oxadiazoles; DNA gyrase inhibition; Topoisomerase IV inhibition; Antibacterial screening; Computer-aided drug design;
Identification of a small molecule HIV-1 inhibitor that targets the capsid hexamer
Keywords: طراحی دارو با کمک کامپیوتر; Computer-aided drug design; Field-based virtual screening; HIV-1 capsid protein; Antiviral; Surface plasmon resonance
Core chemotype diversification in the HIV-1 entry inhibitor class using field-based bioisosteric replacement
Keywords: طراحی دارو با کمک کامپیوتر; Computer-aided drug design; HIV-1 envelope protein; Field-based; Bioisosteric replacement; Scaffold-hopping; SAR analysis; Structure–activity landscape; Antiviral
Blinded predictions of binding modes and energies of HSP90-α ligands for the 2015 D3R grand challenge
Keywords: طراحی دارو با کمک کامپیوتر; Computer-aided drug design; Protein-ligand interactions; Docking; Ranking; Scoring; Alchemical free energy calculations;
New strategy for renal fibrosis: Targeting Smad3 proteins for ubiquitination and degradation
Keywords: طراحی دارو با کمک کامپیوتر; Fibrosis; Ubiquitination; Proteolysis targeting chimeric molecules; Computer-aided drug design;
Acyl-2-aminobenzimidazoles: A novel class of neuroprotective agents targeting mGluR5
Keywords: طراحی دارو با کمک کامپیوتر; Traumatic brain injury; Metabotropic glutamate receptor; Neuroprotection; Computer-aided drug design; Positive allosteric modulator
Evolutionary algorithms for de novo drug design - A survey
Keywords: طراحی دارو با کمک کامپیوتر; De novo drug design; Evolutionary algorithm; Genetic algorithm; Multi-objective optimization; Computer-aided drug design; Soft computing;
CHARMM additive and polarizable force fields for biophysics and computer-aided drug design
Keywords: طراحی دارو با کمک کامپیوتر; Molecular dynamics; Empirical force field; Potential energy function; Molecular Mechanics; Computer-aided drug design; Biophysics;
QSAR models for HEPT derivates as NNRTI inhibitors based on Monte Carlo method
Keywords: طراحی دارو با کمک کامپیوتر; QSAR; SMILES; HEPT; CORAL software; Computer-aided drug design; Monte Carlo method
Effect of Solubilizing Agents on Mupirocin Loading into and Release from PEGylated Nanoliposomes
Keywords: طراحی دارو با کمک کامپیوتر; liposomes; formulation; solubility; nanoparticles; excipients; computer-aided drug design;
Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency
Keywords: طراحی دارو با کمک کامپیوتر; Anti-HIV agents; Computer-aided drug design; NNRTIs; Free-energy calculations
Discovery of dimeric inhibitors by extension into the entrance channel of HIV-1 reverse transcriptase
Keywords: طراحی دارو با کمک کامپیوتر; Anti-HIV agents; Non-nucleoside inhibitors of HIV reverse transcriptase; Computer-aided drug design; NNRTI; Dimeric inhibitors
Ligand-specific homology modeling of human cannabinoid (CB1) receptor
Keywords: طراحی دارو با کمک کامپیوتر; G-protein coupled receptors (GPCRs); Protein–drug interactions; Membrane proteins; Computer-aided drug design; Binding
Relationship Between Potential Aggregation-Prone Regions and HLA-DR-Binding T-Cell Immune Epitopes: Implications for Rational Design of Novel and Follow-on Therapeutic Antibodies
Keywords: طراحی دارو با کمک کامپیوتر; mAbs; immune epitopes; bioinformatics; drug; protein aggregation; proteins; computer-aided drug design; Biopharamaceutics;
POVME: An algorithm for measuring binding-pocket volumes
Keywords: طراحی دارو با کمک کامپیوتر; POVME; Binding-pocket volume; Algorithm; Computer-aided drug design
Novel inhibitors of Mycobacterium tuberculosis dTDP-6-deoxy-l-lyxo-4-hexulose reductase (RmlD) identified by virtual screening
Keywords: طراحی دارو با کمک کامپیوتر; RmlD; M. tuberculosis; Virtual screening; l-Rhamnose synthesis; Anti-tuberculsois; Computer-aided drug design
HBonanza: A computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysis
Keywords: طراحی دارو با کمک کامپیوتر; Hydrogen bond; Computational chemistry; Molecular dynamics simulations; Molecular recognition; Computer-aided drug design
BINANA: A novel algorithm for ligand-binding characterization
Keywords: طراحی دارو با کمک کامپیوتر; BINANA; Computer algorithm; Ligand-binding analysis; Computer-aided drug design; Structural biology; Virtual screening
Three-dimensional quantitative structure–selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2
Keywords: طراحی دارو با کمک کامپیوتر; 3D-QSSR; Cannabinoid receptor 2; Selective ligands; Computer-aided drug design; Quinolones
New PPARγ ligands based on 2-hydroxy-1,4-naphthoquinone: Computer-aided design, synthesis, and receptor-binding studies
Keywords: طراحی دارو با کمک کامپیوتر; PPARγ; Glitazones; Docking; Computer-aided drug design; Rosiglitazone; Farglitazar; 2-Hydroxy-1,4-naphthoquinone
Three-dimensional QSAR analyses of 1,3,4-trisubstituted pyrrolidine-based CCR5 receptor inhibitors
Keywords: طراحی دارو با کمک کامپیوتر; Computer-aided drug design; 3D-QSAR analysis; CoMFA and CoMSIA methods; Inhibitors of CCR5 receptor
Virtual screening application of a model of full-length HIV-1 integrase complexed with viral DNA
Keywords: طراحی دارو با کمک کامپیوتر; HIV-1 integrase strand transfer inhibitors; Computer-aided drug design; Virtual screening; Drug discovery
Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase
Keywords: طراحی دارو با کمک کامپیوتر; NNRTI; Computer-aided drug design; Diarylamine; Anti-HIV drug; Thiazoylamine; Pyrimidinylamine
Computer-aided design of non-nucleoside inhibitors of HIV-1 reverse transcriptase
Keywords: طراحی دارو با کمک کامپیوتر; NNRTI; Structure-based drug design; Anti-HIV drugs; Computer-aided drug design
Characterization of ATP-independent ERK inhibitors identified through in silico analysis of the active ERK2 structure
Keywords: طراحی دارو با کمک کامپیوتر; Extracellular signal-regulated kinase; Docking domains; Drug development; Computer-aided drug design
Target flexibility in molecular recognition
Keywords: طراحی دارو با کمک کامپیوتر; Structure-based drug discovery; Computer-aided drug design; Induced fit; Molecular dynamics; Computer simulation; Free energy;