| Basin hopping as a general and versatile optimization framework for the characterization of biological macromolecules B Olson, I Hashmi, K Molloy, A Shehu Advances in Artificial Intelligence 2012 (1), 674832, 2012 | 102 | 2012 |
| A survey of computational methods for protein function prediction A Shehu, D Barbará, K Molloy Big data analytics in genomics, 225-298, 2016 | 74 | 2016 |
| Probabilistic search and energy guidance for biased decoy sampling in ab initio protein structure prediction K Molloy, S Saleh, A Shehu IEEE/ACM transactions on computational biology and bioinformatics 10 (5 …, 2013 | 46 | 2013 |
| Elucidating the ensemble of functionally-relevant transitions in protein systems with a robotics-inspired method K Molloy, A Shehu BMC Structural Biology 13, 1-22, 2013 | 39 | 2013 |
| In search of the protein native state with a probabilistic sampling approach B Olson, K Molloy, A Shehu Journal of Bioinformatics and Computational Biology 9 (03), 383-398, 2011 | 38 | 2011 |
| Characterizing energy landscapes of peptides using a combination of stochastic algorithms D Devaurs, K Molloy, M Vaisset, A Shehu, T Siméon, J Cortés IEEE transactions on nanobioscience 14 (5), 545-552, 2015 | 33 | 2015 |
| Guiding probabilistic search of the protein conformational space with structural profiles B Olson, K Molloy, SF Hendi, A Shehu Journal of bioinformatics and computational biology 10 (03), 1242005, 2012 | 27 | 2012 |
| A reinforcement-learning-based approach to enhance exhaustive protein loop sampling A Barozet, K Molloy, M Vaisset, T Siméon, J Cortés Bioinformatics 36 (4), 1099-1106, 2020 | 25 | 2020 |
| A general, adaptive, roadmap-based algorithm for protein motion computation K Molloy, A Shehu IEEE Transactions on NanoBioscience 15 (2), 158-165, 2016 | 18 | 2016 |
| A stochastic roadmap method to model protein structural transitions K Molloy, R Clausen, A Shehu Robotica 34 (8), 1705-1733, 2016 | 16 | 2016 |
| Simultaneous system design and path planning: A sampling-based algorithm K Molloy, L Denarie, M Vaisset, T Siméon, J Cortés The International journal of robotics research 38 (2-3), 375-387, 2019 | 15 | 2019 |
| Enhancing sampling of the conformational space near the protein native state B Olson, K Molloy, A Shehu Bio-Inspired Models of Network, Information, and Computing Systems: 5th …, 2012 | 15 | 2012 |
| Hybrid parallelization of a multi-tree path search algorithm: Application to highly-flexible biomolecules A Estaña, K Molloy, M Vaisset, N Sibille, T Simeon, P Bernadó, J Cortés Parallel Computing 77, 84-100, 2018 | 14 | 2018 |
| Exploring representations of protein structure for automated remote homology detection and mapping of protein structure space K Molloy, MJ Van, D Barbara, A Shehu BMC bioinformatics 15, 1-14, 2014 | 13 | 2014 |
| Interleaving global and local search for protein motion computation K Molloy, A Shehu Bioinformatics Research and Applications: 11th International Symposium …, 2015 | 11 | 2015 |
| Big data analytics in genomics A Shehu, D Barbará, K Molloy Springer, Cham, 2016 | 8 | 2016 |
| Combining system design and path planning L Denarie, K Molloy, M Vaisset, T Siméon, J Cortés Algorithmic Foundations of Robotics XII: Proceedings of the Twelfth Workshop …, 2020 | 7 | 2020 |
| Biased decoy sampling to aid the selection of near-native protein conformations K Molloy, A Shehu Proceedings of the ACM Conference on Bioinformatics, Computational Biology …, 2012 | 7 | 2012 |
| A robotics-inspired method to sample conformational paths connecting known functionally-relevant structures in protein systems K Molloy, A Shehu 2012 IEEE International Conference on Bioinformatics and Biomedicine …, 2012 | 6 | 2012 |
| Basin Hopping as a General and Versatile Optimization Framework for the Characterization of Biological Macromolecules. Advances in Artificial Intelligence, 2012, 1–19 B Olson, I Hashmi, K Molloy, A Shehu | 4 | 2012 |
