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Theoretical and Computational Chemistry

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Cosolvent molecular dynamics

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2 results in Keywords: Cosolvent molecular dynamics

Theoretical and Computational Chemistry

Cosolvent and Dynamic Effects in Binding Pocket Search by Docking Simulations

P. Bernát Szabó, Francesc Sabanés Zariquiey, Juan José Nogueira

Version 1 posted 30 July 2021

266

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Theoretical and Computational Chemistry

Predicting Fragment Binding Modes Using Customized Lennard-Jones Potentials in Short Molecular Dynamics Simulations

Christopher Vorreiter, Dina Robaa, Wolfgang Sippl

Version 1 posted 06 November 2024

95

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