Discover more insights into Molecular Model 분자 모델

Molecular Model sentence examples within molecular dynamics simulation



Multi-scale simulations of the T cell receptor reveal its lipid interactions, dynamics and the arrangement of its cytoplasmic region


Discovery of a Novel Non-Narcotic Analgesic Derived from the CL-20 Explosive: Synthesis, Pharmacology, and Target Identification of Thiowurtzine, a Potent Inhibitor of the Opioid Receptors and the Ion Channels

Molecular Model sentence examples within density functional theory



Effect of Methylmercury Binding on the Peroxide-Reducing Potential of Cysteine and Selenocysteine.


Gas Sensor device based on Pt-doped SnS2 Monolayer: Ab-initio Modelling

Molecular Model sentence examples within structure activity relationship



Developing novel classes of protein kinase CK1δ inhibitors by fusing [1,2,4]triazole with different bicyclic heteroaromatic systems.


An insight into the medicinal attributes of berberine derivatives: A review.



Molecular Model sentence examples within nuclear magnetic resonance



Binary systems of albendazole desmotropes with amino-acids: experimental and theoretical studies


Tissue-Specific Accumulation and Isomerization of Valuable Phenylethanoid Glycosides from Plantago and Forsythia Plants

Molecular Model sentence examples within human serum albumin



Molecular mechanism and thermodynamic study of Rosuvastatin interaction with human serum albumin using a surface plasmon resonance method combined with a multi-spectroscopic, and molecular modeling approach.


Assessment on the binding characteristics of residual marbofloxacin in animal-derived food to bovine/human serum albumin by spectroscopy and molecular modeling.

Molecular Model sentence examples within surface plasmon resonance



The AIRE G228W mutation results in a longer-lasting AIRE-SIRT1 interaction


Structural insights into the modulation of PDGF/PDGFR-β complexation by hyaluronan derivatives

Molecular Model sentence examples within isothermal titration calorimetry



Host-guest interaction of trimethoprim drug with cyclodextrins in aqueous solutions: Calorimetric, spectroscopic, volumetric and theoretical approach


Galectin-4 N-Terminal Domain: Binding Preferences Toward A and B Antigens With Different Peripheral Core Presentations

Molecular Model sentence examples within transform infrared spectroscopy



Investigation of the Interaction of Sorafenib with Alpha-Lactalbumin: Spectroscopic and Molecular Modeling


Mechanisms of Tebuconazole Adsorption in Profiles of Mineral Soils

Molecular Model sentence examples within molecular dynamic simulation



Lobostemon trigonus (Thunb.) H. Buek, a medicinal plant from South Africa as a potential natural microbicide against HIV-1.


Stability and dissociation studies of CO2 hydrate under different systems using molecular dynamic simulations

Molecular Model sentence examples within three dimensional structure



Extended characterization of unpaired cysteines in an IgG1 monoclonal antibody by LC-MS analysis.


A protective vaccine against the toxic activities following Brown spider accidents based on recombinant mutated phospholipases D as antigens.

Molecular Model sentence examples within circular dichroism spectroscopy



Systematic Approach to DNA Aptamer Design Using Amino Acid-Nucleic Acid Hybrids (ANHs) Targeting Thrombin.


Colorimetric aptasensor for on-site detection of oxytetracycline antibiotic in milk.

Molecular Model sentence examples within molecular docking molecular



Time-dependent conformational analysis of ALK5-lumican complex in presence of graphene and graphene oxide employing molecular dynamics and MMPBSA calculation.


Drug-Drug Interaction Between Oxycodone and Diazepam by a Combined in Silico Pharmacokinetic and Pharmacodynamic Modeling Approach.

Molecular Model sentence examples within resonance energy transfer



Spectroscopic and molecular docking study of the interaction between neutral Re(I) tetrazolate complexes and bovine serum albumin.


Direct coupling of oligomerization and oligomerization-driven endocytosis of the dopamine transporter to its conformational mechanics and activity

Molecular Model sentence examples within binding free energy



In silico studies on stilbenolignan analogues as SARS-CoV-2 Mpro inhibitors


Accuracy and precision of binding free energy prediction for a tacrine related lead inhibitor of acetylcholinesterase with an arsenal of supercomputerized molecular modelling methods: a comparative study.

Molecular Model sentence examples within find new relevant



Eight-gene risk score predicts progression and prognosis in bladder cancer


Construction and validation of a novel eight-gene risk score to predict the progression and prognosis of bladder cancer

Molecular Model sentence examples within computer aided drug



In silico drug discovery for a complex immunotherapeutic target - human c-Rel protein.


PDBcle – An online tool for extracting chain structure and sequence of macromolecule and small molecule structure from the Protein Data Bank

Molecular Model sentence examples within potential binding mode



Nifuroxazide as JAK2 inhibitor: A binding mode proposal and Hel cell proliferation assay.


Identification and Kinetic Characterization of Serum- and Glucocorticoid-Regulated Kinase Inhibitors Using a Fluorescence Polarization–Based Assay

Molecular Model sentence examples within fluorescence emission spectroscopy



Investigation of binding interaction behavior between antiemetic drugs and Trypsin by spectroscopy and molecular docking.


Multi-spectroscopic and molecular docking studies for binding interaction between fluvoxamine and human serum albumin.

Molecular Model sentence examples within dimensional quantitative structure



In silico design of novel FAK inhibitors using integrated molecular docking, 3D-QSAR and molecular dynamics simulation studies.


4D-QSAR Molecular Modeling and Analysis of Flavonoid Derivatives as Acetylcholinesterase Inhibitors.

Molecular Model sentence examples within bovine serum albumin



Exploring the interactions of acenaphthene with bovine serum albumin: Spectroscopic methods, molecular modeling and chemometric approaches.


Insights into the interaction of azinphos-methyl with bovine serum albumin: experimental and molecular docking studies.

Molecular Model sentence examples within dynamic light scattering



Effect of Fluorescent Labels on DNA Affinity for Gold Nanoparticles


Antiviral Properties of the NSAID Drug Naproxen Targeting the Nucleoprotein of SARS-CoV-2 Coronavirus

Molecular Model sentence examples within quantitative structure activity



Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach

Molecular Model sentence examples within 2 infected human



Repositioning Adequate Antibiotics to Treat/Cure the Coronavirus Disease 2019 (COVID-19): Current Treatments and Future Directions

Molecular Model sentence examples within Silico Molecular Model



A rare germline CDKN2A variant (47T>G; p16-L16R) predisposes carriers to pancreatic cancer by reducing cell cycle inhibition


Thermodynamic stability, in-vitro permeability, and in-silico molecular modeling of the optimal Elaeis guineensis leaves extract water-in-oil nanoemulsion

Molecular Model sentence examples within Computational Molecular Model



Discovery of (E)-N-(4-cyanobenzylidene)- 6-fluoro- 3-hydroxypyrazine-2 -carboxamide (cyanorona-20): the first potent and specific anti-COVID-19 drug


14-3-3 Proteins: Novel Pharmacological Targets in Neurodegenerative Diseases.

Molecular Model sentence examples within Using Molecular Model



Effects of Salinity and Abscisic Acid on Lipid Transfer Protein Accumulation, Suberin Deposition and Hydraulic Conductance in Pea Roots


Infection-enhancing anti-SARS-CoV-2 antibodies recognize both the original Wuhan/D614G strain and Delta variants. A potential risk for mass vaccination?

Molecular Model sentence examples within Grained Molecular Model



Towards Chemotactic Supramolecular Nanoparticles: From Autonomous Surface Motion Following Specific Chemical Gradients to Multivalency-Controlled Disassembly


Non-Universal Features in Uniaxially Extensional Rheology of Linear Polymer Melts and Concentrated Solutions: A Review

Molecular Model sentence examples within Integrated Molecular Model



An integrated molecular modeling protocol for drug screening based on conceptual density functional theory and chemoinformatics for the study of marine cyclopeptides


Discovery of novel DprE1 inhibitors via computational bioactivity fingerprints and structure-based virtual screening.

Molecular Model sentence examples within Guided Molecular Model



A general chemical crosslinking strategy for structural analyses of weakly interacting proteins applied to preTCR–pMHC complexes


A general chemical crosslinking strategy for structural analyses of weakly interacting proteins applied to preTCR-pMHC complexes.

Molecular Model sentence examples within New Molecular Model