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Starting from this model, docking experiments were performed to find the best-scoring Kv7.2/PIP2 configuration.
Docking experiments were performed at various exhaustiveness values of the default, 16, 24, 32, 40 and 60.
Ligand docking experiments were employed to gain information about residues involved in proline binding.
Docking experiments were carried out to identify the EID-1 binding surface on SHP structure.
Molecular docking experiments were in agreement with kinetic results indicating reliable interactions with both the catalytic cleft and other sites.
Molecular docking experiments were performed to clarify the molecular aspects of the observed COX and LOX inhibitory activities of the investigated compounds.
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In addition to the analysis of the crystal structure, 3D NMR interaction studies and docking experiments are reported here.
Moreover, underwater docking experiments are conducted to validate the feasibility of the docking system and the effectiveness of the proposed guidance algorithm.
In this study, amide hydrogen/deuterium (H/D) exchange mass spectrometry (HDX MS) combined with molecular modeling and docking experiments was used to obtain structural models of proinflammatory chemokine interleukin-8 (IL-8) in complex with hexameric chondroitin sulfate.
The scoring function used for GOLD docking experiments was ChemPLP.
First results from rescoring after local optimization of the poses and full docking experiments are shown.
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CEO of Professional Science Editing for Scientists @ prosciediting.com