In silico drug design became widely used in the past dedicate but it was not often employed in the real life, i.e. from the big pharma companies. This has been changed during the last year by the introduction of FEP+ technology by Schrödinger. Many projects are under development now in which most of the big pharmaceutical companies were involved. In this way, many other in silico approaches became also well recognized. The main reason for this progress is the new computation capability and in particular the use of modern GPUs instead CPUs for the calculations, which makes possible an acceleration of about 30-100 times. Unfortunately, although the cosmetics active substance and drug discovery are similar in their initial phase the in silico design is rare used by cosmetics companies.
At Micar21 Ltd, we are helping usher in the new era of personalized medicine by enabling a fundamental change in healthcare with customized treatments and data-driven insights tailored to the individual.
At the heart of personalized medicine, DNA sequencing technology is advancing at an even more rapid pace than the cell phone revolution. By decreasing cost and increasing speed for the analysis of whole genome sequence (WGS) data, our technology platform makes it easier to discover links between DNA sequence variations and human diseases.
A graphics processing unit (GPU) in a combination with Compute Unified Device Architecture (CUDA) has provided in the recent few years completely new technology that allows a number of scientific calculations to be massively accelerated.
They provide an access to supercomputer scale performance without waiting for shared resources. GPU accelerators enable computational chemistry and biology researchers to push the boundaries of discovery.
MD simulations reproduce in a realistic way protein behavior in physiological conditions, revealing at a molecular level protein structure and, consequently, protein function.
Notably, this approach is one of the most advanced techniques allowing to differentiate compounds that are capable or not of binding to certain proteins. Nowadays, it is a valuable tool in many areas, including structural biology and in silico drug design.
The field of molecular modeling comprise a vast number of scientific techniques. Docking and Pharmacophore in silico approaches are commonly used in discovery of novel bioactive ligands and in drug design.
By these powerful methods the screening of millions compounds is now possible predicting whether they can bind to certain proteins. Quantum chemistry is a branch of chemistry whose primary focus is the application of quantum mechanics in physical models predicting the chemical structure, physicochemical properties and etc.
Structural biology is a branch of molecular biology, biochemistry, and biophysics concerned with the molecular structure of biological macromolecules, especially proteins and nucleic acids, how they acquire the structures they have, and how alterations in their structures affect their function.
Bioinformatics is an interdisciplinary field that develops methods and software tools for understanding biological data. As an interdisciplinary field of science, bioinformatics combines computer science, statistics, mathematics, and engineering to study and process biological data.
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