Molecular Docking

Introduction Molecular dynamics, a fascinating intersection of physics and chemistry, offers a microscopic view into the behavior of atoms and molecules. As its significance in scientific research grows, students and professors are increasingly eager to delve into its complexities. This guide aims to illuminate the intricate world of molecular dynamics simulations for the academic community. […]

Molecular dynamics (MD) simulation is a powerful computational technique that allows researchers to study the behavior of molecules and their interactions over time. With the growing demand for skilled professionals in this field, molecular dynamics simulation courses have become increasingly popular. In this blog post, we will explore what these courses entail, the benefits of […]

Abstract Synthesis, crystallographic characterization, spectroscopic (FT-IR, UV-Vis, NMR) and density functional studies of (E)-3-(anthracene-10-yl)-1-(napthalen-1-yl)prop-2-en-1-one (3ANP) have been reported. The molecular structure obtained from single crystal X-ray diffraction method of the investigated compound was compared with theoretical values by DFT method at B3LYP with 6-311G(d,p) basis set. The 3ANP crystallizes in triclinic space group P1 with […]