Kevin Molloy

Basin Hopping as a General and Versatile Optimization Framework for the Characterization of Biological Macromolecules

Brian Olson, Irina Hashmi, Kevin Molloy et al. · Advances in Artificial Intelligence · 2012 · 92 citations · Full text

Biomolecular Structure Prediction, Versatile Optimization Framework, Biological Macromolecules +20

Probabilistic Search and Energy Guidance for Biased Decoy Sampling in Ab Initio Protein Structure Prediction

Kevin Molloy, Sameh N. Saleh, Amarda Shehu · IEEE/ACM Transactions on Computational Biology and Bioinformatics · 2013 · 39 citations

Structural Bioinformatics, Biomolecular Structure Prediction, Molecular Biology +19

Elucidating the ensemble of functionally-relevant transitions in protein systems with a robotics-inspired method

Kevin Molloy, Amarda Shehu · BMC Structural Biology · 2013 · 31 citations · Full text

A reinforcement-learning-based approach to enhance exhaustive protein loop sampling

Amélie Barozet, Kevin Molloy, Marc Vaisset et al. · Bioinformatics · 2019 · 27 citations · Full text

Characterizing Energy Landscapes of Peptides Using a Combination of Stochastic Algorithms

Didier Devaurs, Kevin Molloy, Marc Vaisset et al. · IEEE Transactions on NanoBioscience · 2015 · 26 citations

Engineering, Peptide Engineering, Molecular Biology +18