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  1. Swarm Intelligence
  2. Swarm Intelligence : Volume 1
  3. Swarm Intelligence : Volume 1, Issue 2, December 2007
  4. An ant colony optimization approach to flexible protein–ligand docking
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Swarm Intelligence : Volume 11
Swarm Intelligence : Volume 10
Swarm Intelligence : Volume 9
Swarm Intelligence : Volume 8
Swarm Intelligence : Volume 7
Swarm Intelligence : Volume 6
Swarm Intelligence : Volume 5
Swarm Intelligence : Volume 4
Swarm Intelligence : Volume 3
Swarm Intelligence : Volume 2
Swarm Intelligence : Volume 1
Swarm Intelligence : Volume 1, Issue 2, December 2007
Moving targets: collective decisions and flexible choices in house-hunting ants
Ant-based and swarm-based clustering
An ant colony optimization approach to flexible protein–ligand docking
Ant colony optimization for real-world vehicle routing problems : From theory to applications
Swarm Intelligence : Volume 1, Issue 1, June 2007

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An ant colony optimization approach to flexible protein–ligand docking

Content Provider SpringerLink
Author Korb, Oliver Stützle, Thomas Exner, Thomas E.
Copyright Year 2007
Abstract The prediction of the complex structure of a small ligand with a protein, the so-called protein–ligand docking problem, is a central part of the rational drug design process. For this purpose, we introduce the docking algorithm PLANTS (Protein–Ligand ANT System), which is based on ant colony optimization, one of the most successful swarm intelligence techniques. We study the effectiveness of PLANTS for several parameter settings and present a direct comparison of PLANTS’s performance to a state-of-the-art program called GOLD, which is based on a genetic algorithm and frequently used in the pharmaceutical industry for this task. Last but not least, we also show that PLANTS can make effective use of protein flexibility giving example results on cross-docking and virtual screening experiments for protein kinase A.
Starting Page 115
Ending Page 134
Page Count 20
File Format PDF
ISSN 19353812
Journal Swarm Intelligence
Volume Number 1
Issue Number 2
e-ISSN 19353820
Language English
Publisher Springer US
Publisher Date 2007-09-19
Publisher Place Boston
Access Restriction One Nation One Subscription (ONOS)
Subject Keyword Ant colony optimization Protein–ligand docking Cross-docking Virtual screening Computer Communication Networks Communications Engineering, Networks ApplicationMathematics/Computational Methods of Engineering Computer Systems Organization and Communication Networks Artificial Intelligence (incl. Robotics)
Content Type Text
Resource Type Article
Subject Artificial Intelligence
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