Search
back to search
NAME

BioVirtual

DESCRIPTION

4-dimensional computational analysis of molecular interactions between biological entities (proteins, antibodies, nucleic acids and lipids) and small ligands (inhibitors, substrates, cofactors) with atomic and temporal resolution. Based on solid physical principles and incorporate environmental effects (solvents, ionic strength, temperature), we deliver high-quality graphs and attractive pictures/videos illustrating these interactions. Our computer simulations provide detailed insights on biomolecular recognition and activity events.

MOST OUTSTANDING EQUIPMENT AND COMPONENTS

Computational Chemistry is a cross-disciplinary area devoted to the accurate atomistic simulation of chemical and biochemical phenomena, from small-molecule reactions and metal-catalyzed processes to protein folding, dynamics and function. It is at the core of the structure-activity relationship and uses cutting edge technology based on state-of-the art supercomputing, nearly-exact quantum mechanics and multiscale molecular mechanics and dynamics simulations, with strong validation and feedback from experiments.

SERVICES OFFERED BY THE ASSET

services book icon
1095

Bioinformatics and machine learning-based analysis of large databases of protein sequences

services book icon
1093

Calculation of high-quality binding energies for hit-to-lead optimization

services book icon
1096

Design of chemical reactions and linkers for protein and antibody conjugation

services book icon
1092

High-throughput virtual screening for hit identification in drug discovery

services book icon
1091

Modeling of unknow (glyco)protein and glycans and interactions between them

services book icon
1088

Molecular dynamics simulations of biological entities in water and/or cellular membranes.

services book icon
1094

Protein engineering virtual optimization with emphasis in enzymatic catalysis and thermostability.

services book icon
1090

Refinement of crystallographic and cryo-EM structures

services book icon
1089

Refinement of crystallographic and cryo-EM structures

ENTITY MANAGING THE ASSET

ASOCIACIÓN CENTRO DE INVESTIGACIÓN COOPERATIVA EN BIOCIENCIAS - CIC bioGUNE

Contact person: Donatello Castellana

Other related assets

Tell us about your need

Let us get to know you better. If you are looking to implement intelligent technologies and advanced materials that improve the efficiency of your company's production system to offer solutions with more added value, fill in this form.

Scroll To Top