Ibrahim Al-Bluwi

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Motion planning is a fundamental problem in robotics that has motivated research since more than three decades ago. A large variety of algorithms have been proposed to compute feasible motions of multi-body systems in constrained workspaces. In recent years, some of these algorithms have surpassed the frontiers of robotics, finding applications in other(More)
Obtaining atomic-scale information about large-amplitude conformational transitions in proteins is a challenging problem for both experimental and computational methods. Such information is, however, important for understanding the mechanisms of interaction of many proteins. This paper presents a computationally efficient approach, combining methods(More)
Protein-ligand interactions taking place far away from the active site, during ligand binding or release, may determine molecular specificity and activity. However, obtaining information about these interactions with experimental or computational methods remains difficult. The computational tool presented in this article, MoMA-LigPath, is based on a(More)
—This paper presents a method, inspired by robot motion planning algorithms, to model conformational transitions in proteins. The capacity of normal mode analysis to predict directions of collective large-amplitude motions is exploited to bias the conformational exploration. A coarse-grained elastic network model built on short fragments of three residues(More)
  • Devaurs, Bouard, Vaisset Léa, Marc, Zanon, Christophe +13 others
  • 2013
MoMA-LigPath: A web server to simulate protein-ligand unbinding. OATAO is an open access repository that collects the work of Toulouse researchers and makes it freely available over the web where possible. ABSTRACT Protein-ligand interactions taking place far away from the active site, during ligand binding or release, may determine molecular specificity(More)
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