New binding site conformations of the dengue virus NS3 protease accessed by molecular dynamics simulation.

As no previous information for binding residues of NMDAR in humans was reported, the binding site was retrieved by using the binding site resi- dues of NMDAR reported in the

However, to our knowledge, our model is unique in that it investigates the combined effects of diffusion and binding of two different particles on the long-term homeostatic

No início da entrevista, a Professora 5 afirma ter uma prática diferenciada, um dos motivos pelos quais foi indicada para a SAA, mas nesse momento se coloca

Para Tomé e Nascimento (2006) a história humana esteve sempre vinculada à presença da água e antes de pensarmos a bacia apenas a partir do seu rio principal,

The work consisted of three parts: the binding of small molecules, the control of the rate of reduction, and the transfer of electrons between multihaem proteins.. As models for

Using Molecular Dynamics (MD) simulations, and taking as starting point the X-ray structure of the ATP-bound MJ0796 dimer, the major conformational changes induced by

The number of binding sites (n ca. 1) indicates one main binding site and molecular modeling suggests subdomain IIIA (Sudlow’s site II) as the main binding site to the

By using molecular docking simulations, we compared the putative binding mode of the most active compound of this series, 7g , with the crystallographic pose of the ligand