Abstract The translocator protein (18 kDa)(TSPO) is localized primarily in the outer
mitochondrial membrane of steroid-synthesizing cells, including those in the central and …

Highlights•Docking studies could play an important role in the field of pharmacology.•It
predicts the energetically favourable binding conformations of ligands in the active site …

Left ventricular noncompaction (LVNC) causes prominent ventricular trabeculations and
reduces cardiac systolic function. The clinical presentation of LVNC ranges from …

C1q is a versatile recognition protein that binds to an amazing variety of immune and non-
immune ligands and triggers activation of the classical pathway of complement. The crystal …

The high frequency of using engineered nanoparticles in various medical applications
entails a deep understanding of their interaction with biological macromolecules. Molecular …

Aptamers are single-stranded DNA or RNA oligonucleotides generated by SELEX that
exhibit binding affinity and specificity against a wide variety of target molecules. Compared …

The current status of docking procedures for predicting protein–protein interactions starting
from their three‐dimensional (3D) structure is reassessed by evaluating blind predictions …

ClassIII peroxidases are multigene family of plant-specific peroxidase enzyme. They are
involved in various physiological and developmental processes like auxin catabolism, cell …

The developmental rapidity of nanotechnology poses higher risks of exposure to humans
and the environment through manufactured nanomaterials. The multitude of biological …

This article describes our attempts to dock the targets in CAPRI Rounds 3–5 using Hex 4.2,
and it introduces a novel essential dynamics approach to generate multiple feasible …