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Using GGA exchange correlation functional natural Fe-porphyrin is found to adsorb hydrogen molecules with binding energy of 0.3 eV per H2[15].
Due to our recent study on the electrostatic similarity of small molecules with binding proteins [20], we were interested in the challenge of looking for active compounds while only exploiting the information contained in atomic coordinates and partial charges of a molecule.
Further work on 5-HT agonists demonstrated that the most efficient method of library design for a GPCR screening utilizes a combination of a ligand-based similarity search and structure-based screening to identify molecules with binding properties [21].
Owing to an extended structure, each subunit of Tm regulates the interaction of up to seven potential myosin molecules with binding sites of actin (one site per actin monomer).
There are two major classes of MHC molecules: MHC class I (MHC-I) molecules characterized by short binding peptides, usually consisting of nine residues; and MHC class II (MHC-II) molecules with binding peptides that range from 11 to 30 residues in length, although shorter and longer peptide lengths are not uncommon [2].
Similar(55)
This binding of the PFC precursor to E was blocked by pretreating the lymphocyte with anti-human Ig before E rosetting, indicating that the PFC precursor specifically bound to SRBC by a surface Ig molecule with binding specificity for sheep red blood cell determinants.
Cytoplasmic AurA-GFP molecules exchange with binding sites spread throughout the PCM (H ), whereas DSpd-2-GFP molecules are recruited by binding sites located close to the centrioles; once released from these binding sites the molecules spread slowly outward into the more peripheral regions of the PCM (I ).
Further experiments revealed that while these antibodies preferentially bind to mono and unglycosylated PrP, they also bind to diglycosylated molecules with reduced binding strength (e.g. in Supplementary Figure S4A).
Aptamers are single-stranded DNA or RNA oligonucleotides that bind to target molecules with robust binding affinities.
Hippocampal neurons that are deficient in cell-surface MHC class I have increased NMDAR-mediated currents, demonstrating a regulatory role of MHC class I. To explore the molecular mechanism by which MHC class I regulates NMDARs, this thesis investigated the binding interactions of MHC class I molecules with candidate binding partners spinophilin and PSD-95.
Several methods employ the binding site information in order to generate molecules with a binding affinity toward a given target protein, e.g. Multiple Copy Simultaneous Search (MCSS) [57], SPROUT: structure generating software using template [58], and SMall Molecule Growth (SMoG) [59].
Related(20)
species with binding
genes with binding
models with binding
compounds with binding
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sequences with binding
molecules with complex
molecules with different
molecules with overlapping
molecules with complicated
molecules with hERG
molecules with molecular
molecules with identical
molecules with unusual
molecules with large
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molecules with structural
molecules with many
molecules with other
molecules with polypharmacological
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Justyna Jupowicz-Kozak
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