• Molecular modeling


    Molecular modeling services provided by Virtua Drug covers various areas of in silico drug discovery such as protein structure/property prediction and analysis, homology modeling, molecular docking, molecular dynamics simulations and QSAR analysis.

  • Scientific consulting


    As professionals in the field of molecular docking and homology modeling, VirtuaDrug offers state-of-the-art chemoinformatic tools and expertise to generate molecular models based on your data. We are also prepared to assist you to publish, report the findings of your experiment.

  • Software development


    Virtua Drug has yearlong experience in web tools and technologies such as C++, PHP, MySQL through successful completion of web development projects for scientific research. We provide complete software implementation process, starting with software design and development, up to software upgrades.

  • About us


    Virtua Drug research and development company is a privately held company targeting high-quality molecular modeling for the pharmaceutical industry and scientific research.

Featured Product


Our featured product, DockingServer (https://www.dockingserver.com) offers a web-based, easy to use interface that handles all aspects of molecular docking calculations from ligand and protein set-up to evaluation and representation of the results. DockingServer integrates a number of computational chemistry software specifically aimed at correctly calculating parameters needed at different steps of the docking procedure, i.e.
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Featured Publication


In the following paper, Virtua Drug has provided molecular modeling studies: Functional adaptation of the switch-2 nucleotide sensor enables rapid processive translocation by myosin-5. Nagy NT, Sakamoto T, Takács B, Gyimesi M, Hazai E, Bikádi Z, Sellers JR, Kovács M. FASEB J. 2010 Jul 14. Active site loops that are conserved across superfamilies of myosins,
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In Hungarian


A Virtua Drug Kft molekulamodellezéssel foglalkozó tudományos kutató-fejlesztő cég. Ipari megbízások mellett szívesen vállalunk innovatív tudományos pályázatokban való részvételt. Fő termékünk a DockingServer. Our latest scientific product is Althotas virtual laboratory, predictions can be tested for free at: Albumin binding prediction, P-gp substrate prediction, P450 substrate prediction. Click here for more Drug Discovery News and Tech News.