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In contrast, HADDOCK is a data-driven docking program that has been widely used in combination with experimental data, ranging from NMR data, mass spectrometry data to mutagenesis data (for a comprehensive overview, see van Dijk et al. [9]).

HADDOCK has been applied to a variety of problems including protein-protein, protein-nucleic acids and protein-small molecule complexes, in combination with a wide range of experimental data, ranging from NMR, mass spectrometry to mutagenesis data (for an overview, see [9], [10]).

Isolation and mutagenesis data for this strain have been described in a previous study [ 13].

In summary, the mutagenesis data for both UspA1 527 665) and N-CEACAM1 when combined with their respective crystal structures enabled us to locate their interacting surfaces.

Our functional study confirmed the importance of E364 in both hydroxylase and oxidase activities of AgPPO8, representing the crucial mutagenesis data for PPO for the first time in the field.

Our mutagenesis data for PepTSt are consistent with analogous studies on PepT1 and PepT2, which concluded the N-terminal helices dictated peptide binding and affinity characteristics (Döring et al, 1996, 2002; Fei et al, 1998).

Similar(54)

We filtered the complete set of mutagenesis data from SWISS-PROT release 56 for single amino acid substitution mutations, which resulted in a dataset containing 20787 mutations.

The best scored binding poses were manually inspected for compatibility with mutagenesis data reported for CCK derivatives binding to CCK-2R [27].

Considering numerous unsettled questions in the literature, while with a large amount of structural, kinetic, and mutagenesis data available for CAZymes, there is a pressing need and an abundant opportunity for collaborative computational and experimental investigations with the aim to unlock the secrets of CAZyme catalysis at an atomic level.

Finally, basing on the mutagenesis data obtained for toxin γ (Naja nigricollis) [45], [46], it was suggested that the residues of the M site should be involved in the interactions with phospholipids [50].

Although no mutagenesis data exists for these proteins, there are some highly unusual amino acids in domains II, III, and IV.

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