Concepedia

Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design

Fatiha Benmansour, Iuni Margaret Laura Trist, Bruno Coutard, Étienne Decroly, Gilles Quérat, Andrea Brancale, Karine Barral

European Journal of Medicinal Chemistry · 2016 · 94 citations · 42 references

Concepts

PharmacyMedicinal ChemistryMolecular BiologyDrug DesignDrug DiscoveryVirologyAntiviral AgentsAntiviral PharmacologyDe Novo Drug DesignFragment-based Drug DesignFragment-based Lead DiscoveryFragment-based OptimizationFragment-based De Novo DesignNon-nucleoside InhibitorsNonnucleoside Inhibitors

References

42

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

Natural Sciences, Biophysics, Physics +12

Features and development of <i>Coot</i>

Paul Emsley, Bernhard Lohkamp, W. G. Scott et al. · Acta Crystallographica Section D Biological Crystallography · 2010 · 29.6K citations · Full text

Natural Sciences, Chemistry, Biomolecular Modeling +16

<i>Phaser</i>crystallographic software

Airlie J. McCoy, Ralf W. Grosse‐Kunstleve, Paul D. Adams et al. · Journal of Applied Crystallography · 2007 · 20.9K citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations

Natural Sciences, Chemistry, Physics +17

Wolfgang Kabsch · Acta Crystallographica Section D Biological Crystallography · 2010 · 16.9K citations · Full text

Computing, Computer Science, Computational Geometry +13