Enhancing Sampling of the Conformational Space Near the Protein Native State. - Brian S. Olson; Kevin Molloy; Amarda Shehu (BIONETICS, 2010)

Assembly of low-energy protein conformations with heterogeneous fragments. - Kevin Molloy; Amarda Shehu (BIBM Workshops, 2011)

In Search of the protein Native State with a Probabilistic Sampling Approach. - Brian S. Olson; Kevin Molloy; Amarda Shehu (J. Bioinform. Comput. Biol., 2011)

Biased decoy sampling to aid the selection of near-native protein conformations. - Kevin Molloy; Amarda Shehu (BCB, 2012)

A robotics-inspired method to sample conformational paths connecting known functionally-relevant structures in protein systems. - Kevin Molloy; Amarda Shehu (BIBM Workshops, 2012)

Mapping conformational pathways between known functional protein states. - Kevin Molloy; Amarda Shehu (BIBM Workshops, 2012)

A tree-based search to bias sampling of protein decoy conformations. - Kevin Molloy; Amarda Shehu (BIBM Workshops, 2012)

Basin Hopping as a General and Versatile Optimization Framework for the Characterization of Biological Macromolecules. - Brian S. Olson; Irina Hashmi; Kevin Molloy; Amarda Shehu (Adv. Artif. Intell., 2012)

Guiding Probabilistic Search of the protein conformational Space with Structural Profiles. - Brian S. Olson; Kevin Molloy; S. Farid Hendi; Amarda Shehu (J. Bioinform. Comput. Biol., 2012)

Higher-order representations of protein structure space. - Kevin Molloy; M. Jennifer Van; Daniel Barbará; Amarda Shehu (ICCABS, 2013)

Probabilistic Search and Energy Guidance for Biased Decoy Sampling in Ab Initio Protein Structure Prediction. - Kevin Molloy; Sameh N. Saleh; Amarda Shehu (IEEE ACM Trans. Comput. Biol. Bioinform., 2013)

Exploring representations of protein structure for automated remote homology detection and mapping of protein structure space. - Kevin Molloy; M. Jennifer Van; Daniel Barbará; Amarda Shehu (BMC Bioinform., 2014)

Interleaving Global and Local Search for Protein Motion Computation. - Kevin Molloy; Amarda Shehu (ISBRA, 2015)

Combining System Design and Path Planning. - Laurent Denarie; Kevin Molloy; Marc Vaisset; Thierry Siméon; Juan Cortés (WAFR, 2016)

A stochastic roadmap method to model protein structural transitions. - Kevin Molloy; Rudy Clausen; Amarda Shehu (Robotica, 2016)

The 2017 Computational Structural Bioinformatics Workshop: CSBW 2017. - Nurit Haspel; Amarda Shehu; Kevin Molloy (BCB, 2017)

ACM-BCB '17 Tutorial: Robotics-inspired Algorithms for Modeling Protein Structures and Motions. - Kevin Molloy; David Morris; Amarda Shehu (BCB, 2017)

ACM-BCB 2018 Computational Structural Bioinformatics Workshop (CSBW) Chairs' Welcome. - Filip Jagodzinski; Brian Y. Chen; Kevin Molloy (BCB, 2018)

Modeling Macromolecular Structures and Motions: Computational Methods for Sampling and Analysis of Energy Landscapes. - Kevin Molloy; Nasrin Akhter; Amarda Shehu (BCB, 2018)

Hybrid parallelization of a multi-tree path search algorithm: Application to highly-flexible biomolecules. - Alejandro Estaña; Kevin Molloy; Marc Vaisset; Nathalie Sibille; Thierry Siméon; Pau Bernadó; Juan Cortés (Parallel Comput., 2018)

Employing Deep Learning to Study Biomolecules. - Daniel Veltri; Kevin Molloy (BCB, 2019)

ROMEO: A Plug-and-play Software Platform of Robotics-inspired Algorithms for Modeling Biomolecular Structures and Motions. - Kevin Molloy; Erion Plaku; Amarda Shehu (CoRR, 2019)

Simultaneous system design and path planning: A sampling-based algorithm. - Kevin Molloy; Laurent Denarie; Marc Vaisset; Thierry Siméon; Juan Cortés (Int. J. Robotics Res., 2019)

POST: A Machine Learning Based Paper Organization and Scheduling Tool. - Nathan Moore; Kevin Molloy; William Lovo; Sven Mayer; Pawel W. Wozniak; Michael Stewart 001 (GROUP (Companion), 2020)

A reinforcement-learning-based approach to enhance exhaustive protein loop sampling. - Amélie Barozet; Kevin Molloy; Marc Vaisset; Thierry Siméon; Juan Cortés (Bioinform., 2020)

MoMA-LoopSampler: a web server to exhaustively sample protein loop conformations. - Amélie Barozet; Kevin Molloy; Marc Vaisset; Christophe Zanon; Pierre Fauret; Thierry Siméon; Juan Cortés (Bioinform., 2022)