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All these diverse poses exhibit the quintessential hydrogen-bonding interaction between the ligand basic nitrogen and the backbone carbonyl oxygen atom of the highly conserved Trp-149.
For the docking experiments for binding mode predictions, the option "generate diverse solutions (1.5 Å)" (Fitness and Search Options) was used to ensure that a variety of diverse poses was generated.
There are no special restrictions on what software to use, though it is probably better if the docking program has a stochastic component and can generate diverse poses rather than converging on a "best solution".
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In order to evaluate the performance of PADIF in pose recovery, 100 diverse docking poses (inter pose RMSD > 1.5 Å) per ligand were generated for a suitable subset of 61 complexes of the Astex diverse dataset [24] and then ranked by ChemPLP and PADIF score.
Providing equitable access to appropriate health services for these highly diverse newcomers poses challenges for receiving countries.
Aggregating of multiple microarray experiments by diverse authors poses unique challenges due to a significant component of technical noise, overlaid with biological variability.
Martin Baron, The Herald's executive editor, said yesterday that covering an emotional event in a racially diverse community posed difficult challenges.
Addressing the diverse challenges posed by the various zoonotic diseases and their interventions necessitated a multidisciplinary research agenda.
Microcystin variants are constantly being discovered, making the microcystin family extremely diverse, and posing a challenge for the detection of microcystins from water samples.
Misinterpreting phylogenetic trees is not restricted to errors related to taxa relatedness; phylogenetic tree misinterpretations are diverse and pose significant barriers to understanding evolution (Meir et al., 2007).
The larger the variance in eM scores, the more diverse the conformational poses of abacavir.
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