An Effective Approach for Clustering InhA Molecular Dynamics Trajectory Using Substrate-Binding Cavity Features.

by Renata De Paris, Christian V Quevedo, Duncan D A Ruiz, Osmar Norberto de Souza
Published 2015-01-01

wFReDoW: A Cloud-Based Web Environment to Handle Molecular Docking Simulations of a Fully Flexible Receptor Model

by Renata De Paris, Fábio A. Frantz, Osmar Norberto de Souza, Duncan D. A. Ruiz
Published 2013-01-01

A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model

by Renata De Paris, Christian Vahl Quevedo, Duncan D. Ruiz, Furia Gargano, Osmar Norberto de Souza
Published 2018-06-01

Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments

by Renata De Paris, Christian V. Quevedo, Duncan D. Ruiz, Osmar Norberto de Souza, Rodrigo C. Barros
Published 2015-01-01