GPU Power

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.

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Molecular Dynamics

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.

Molecular Modeling

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.

Sctructural Biology

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.

Bio Informatics

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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