Laura Bonati

According to our database, Laura Bonati authored at least 9 papers between 2007 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations.

Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, Davide Mandelli, Laura Bonati, Marco de Vivo, Paolo Carloni

J. Chem. Inf. Model., June, 2023

2018

Ligand-induced perturbation of the HIF-2α: ARNT dimer dynamics.

Stefano Motta, Claudia Minici, Dario Corrada, Laura Bonati, Alessandro Pandini

PLoS Comput. Biol., 2018

2017

Modeling Binding with Large Conformational Changes: Key Points in Ensemble-Docking Approaches.

Stefano Motta, Laura Bonati

J. Chem. Inf. Model., July, 2017

2016

Deciphering Dimerization Modes of PAS Domains: Computational and Experimental Analyses of the AhR: ARNT Complex Reveal New Insights Into the Mechanisms of AhR Transformation.

Dario Corrada, Anatoly A. Soshilov, Michael S. Denison, Laura Bonati

PLoS Comput. Biol., 2016

2013

Self Organizing Maps to efficiently cluster and functionally interpret protein conformational ensembles.

Domenico Fraccalvieri, Laura Bonati, Fabio Stella

Proceedings of the Proceedings Wivace 2013, 2013

2011

New Aryl Hydrocarbon Receptor Homology Model Targeted To Improve Docking Reliability.

Ilaria Motto, Annalisa Bordogna, Anatoly A. Soshilov, Michael S. Denison, Laura Bonati

J. Chem. Inf. Model., 2011

Predicting the accuracy of protein-ligand docking on homology models.

Annalisa Bordogna, Alessandro Pandini, Laura Bonati

J. Comput. Chem., 2011

Conformational and functional analysis of molecular dynamics trajectories by Self-Organising Maps.

Domenico Fraccalvieri, Alessandro Pandini, Fabio Stella, Laura Bonati

BMC Bioinform., 2011

2007

MinSet: a general approach to derive maximally representative database subsets by using fragment dictionaries and its application to the SCOP database.

Alessandro Pandini, Laura Bonati, Franca Fraternali, Jens Kleinjung

Bioinform., 2007