Steered Molecular Dynamics Simulations of Coumarin2 5Z/5E Pulling Reveal Different Interaction Profiles for Four Human Cytosolic Carbonic Anhydrases
Carbonic anhydrase (CA) is an important enzyme, which has multiple isoforms each performing different functions in humans. Characterizing the interactions of carbonic anhydrase isoforms with ligands is a difficult but important task. In recent years, steered molecular dynamics (SMD) has been used su...
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| Format: | Article |
| Language: | English |
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Suleyman Demirel University
2018-08-01
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| Series: | Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi |
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| Online Access: | http://dergipark.org.tr/sdufenbed/issue/38975/456316?publisher=sdu-1 |