Category Archives: Scientific computing

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– Numerical analysis
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– Bioinformatics and Computational biology
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Virtual Screening and Computer Simulation for Drug Design

Stoyan Markov, Plamenka Borovska, Milena Lazarova, Vladimir Zlatev, Nikolay Landzev

Abstract: In this paper the computer technologies for drug design have been presented. A comparative analysis has been performed of the methods and software for virtual screening as well as for computer simulation of bio-molecules and bio-molecular processes. Molecular  docking  is  of special interest. The  results of HIV-1 protease virtual screening have been presented utilizing AUTODOCK  software.

Keywords: drug, computer, bio-molecules, HIV-1

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