Concepedia

Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT3 receptors

Uriel López-Sánchez, Lachlan Munro, Lucy Kate Ladefoged, Anders Juel Pedersen, Christian Colding Brun, Signe Meisner Lyngby, Delphine Baud, Céline Juillan‐Binard, Miriam Grønlund Pedersen, Sarah C. R. Lummis,

Nature Structural & Molecular Biology · 2024 · 11 citations · 48 references

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48

VMD: Visual molecular dynamics

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

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Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

, , +17

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

, , +13

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

, , +16

Relationship between the inhibition constant (KI) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

Yung-Chi Cheng, William H. Prusoff · Biochemical Pharmacology · 1973 · 12.9K citations

, , +14