Bimolecular Binding Rates for Pairs of Spherical Molecules with Small Binding Sites

نویسندگان

چکیده

Related DatabasesWeb of Science You must be logged in with an active subscription to view this.Article DataHistorySubmitted: 27 February 2020Accepted: 03 November 2020Published online: 20 January 2021Keywordspatchy particles, binding rates, singular perturbations, Berg--Purcell, Brownian motionAMS Subject Headings35B25, 35C20, 35J05, 92C05, 92C40Publication DataISSN (print): 1540-3459ISSN (online): 1540-3467Publisher: Society for Industrial and Applied MathematicsCODEN: mmsubt

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Novel Small Molecules against Two Binding Sites of Wnt2 Protein as potential Drug Candidates for Colorectal Cancer: A Structure Based Virtual Screening Approach

Wnts are the major ligands responsible for activating Wnt signaling pathway through binding to Frizzled proteins (Fzd) as the receptors. Among these ligands, Wnt2 plays the main role in the tumorigenesis of several human cancers especially colorectal cancer (CRC). Therefore, it can be considered as a potential drug target.The aim of this study was to identify potential drug candidates ...

متن کامل

Novel Small Molecules against Two Binding Sites of Wnt2 Protein as potential Drug Candidates for Colorectal Cancer: A Structure Based Virtual Screening Approach

Wnts are the major ligands responsible for activating Wnt signaling pathway through binding to Frizzled proteins (Fzd) as the receptors. Among these ligands, Wnt2 plays the main role in the tumorigenesis of several human cancers especially colorectal cancer (CRC). Therefore, it can be considered as a potential drug target.The aim of this study was to identify potential drug candidates ...

متن کامل

THE CALCIUM BINDING SITES OF THE BAKERS' YEAST TRANSKETOLASE

The calcium binding sites of Bakers' Yeast Transketolase (TK) was elucidated by estimating the pKa values of the functional groups that bind to calcium. These pKa's were found to be 6.25 and 7.2 relating to the pKa's of the two immidazol moieties of histidine residues on the enzyme. The rate of the binding of calcium to the enzyme was obtained separately as a function of pH. Maximum values ...

متن کامل

Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study

In this article, theoretical studies on the selective complexation of the halide ions (F¯, Cl¯ and Br¯) and ion pairs (Na+F¯, Na+Cl¯ and Na+Br¯) with the cyclic nano-hexapeptide (CP) composed of L-proline have been performed in the gas phase. In order to calculate the dispersion interaction energies of the CP and ions, DFT-D3 calculations at the M05-2X-D3/6-31G(d) level was employed. Based on t...

متن کامل

Disordered binding of small molecules to Aβ12-28 DISORDERED BINDING OF SMALL MOLECULES TO Aβ12-28

Background: Inhibition of pathogenic protein aggregation by small molecules is poorly understood. Results: Aggregation inhibitors alter the free energy landscape of a relevant fragment of Alzheimer's amyloid-β protein in subtle but complex fashion. Conclusion: Intrinsic disorder of disease proteins persists at the level of binding small molecules. Significance: Hallmark characteristics and effi...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Multiscale Modeling & Simulation

سال: 2021

ISSN: ['1540-3459', '1540-3467']

DOI: https://doi.org/10.1137/20m1321991