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...
المؤلف الرئيسي: | Michelarakis, N |
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مؤلفون آخرون: | Sansom, M |
التنسيق: | أطروحة |
منشور في: |
2019
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مواد مشابهة
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Coarse-grained molecular dynamics simulations of biomolecules
حسب: Ken Takahashi, وآخرون
منشور في: (2014-03-01) -
Coarse-grained molecular dynamics simulations of biomolecules
حسب: Ken Takahashi, وآخرون
منشور في: (2014-03-01) -
Coarse-Grained Models Reveal Functional Dynamics – II. Molecular Dynamics Simulation at the Coarse-Grained Level – Theories and Biological Applications
حسب: Choon-Peng Chng, وآخرون
منشور في: (2008-03-01) -
Coarse-Grained Models Reveal Functional Dynamics – II. Molecular Dynamics Simulation at the Coarse-Grained Level – Theories and Biological Applications
حسب: Lee-Wei Yang, وآخرون
منشور في: (2008-01-01) -
Dissipative particle dynamics for advanced coarse-grained molecular dynamics simulation
حسب: Emadaldin Moeendarbary
منشور في: (2010)