Towards dynamic pharmacophore models through the use of coarse grained molecular dynamic simulations

Towards dynamic pharmacophore models through the use of coarse grained molecular dynamic simulations

<p>Computer aided drug design (CADD) plays a crucial role in the drug discovery pipeline e.g. in virtual screening of chemical databases, <em>de novo</em> drug design, and lead optimization. Due to the increased numbers of protein structures elucidated, structure-based methods f...

Bibliografiset tiedot
Päätekijä:	Michelarakis, N
Muut tekijät:	Sansom, M
Aineistotyyppi:	Opinnäyte
Julkaistu:	2019

Samankaltaisia teoksia

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Coarse-grained molecular dynamics simulations of biomolecules
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Coarse-grained molecular dynamics simulations of membrane proteins and peptides.
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Machine Learning of Coarse-Grained Molecular Dynamics Force Fields
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Mapping Cholesterol Interaction Sites on Serotonin Transporter through Coarse-Grained Molecular Dynamics.
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Dynamics of the Glycophorin A Dimer in Membranes of Native-Like Composition Uncovered by Coarse-Grained Molecular Dynamics Simulations.
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Coarse-graining molecular dynamics: stochastic models with non-Gaussian force distributions
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interaction of phospholipase A2 with a phospholipid bilayer: Coarse−grained molecular dynamics simulations
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Julkaistu: (2008)

The interaction of phospholipase A2 with a phospholipid bilayer: coarse-grained molecular dynamics simulations.
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CGDB: a database of membrane protein/lipid interactions by coarse-grained molecular dynamics simulations.
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Coarse Grained Molecular Dynamic Simulations for the Study of TNF Receptor Family Members' Transmembrane Organization
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