Amarda Shehu
Amarda Shehu
Professor of Computer Science, George Mason University
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Principles and overview of sampling methods for modeling macromolecular structure and dynamics
T Maximova, R Moffatt, B Ma, R Nussinov, A Shehu
PLoS computational biology 12 (4), e1004619, 2016
Modeling protein conformational ensembles: from missing loops to equilibrium fluctuations
A Shehu, C Clementi, LE Kavraki
Proteins: Structure, Function, and Bioinformatics 65 (1), 164-179, 2006
Deep learning improves antimicrobial peptide recognition
D Veltri, U Kamath, A Shehu
Bioinformatics 34 (16), 2740-2747, 2018
Multiscale characterization of protein conformational ensembles
A Shehu, LE Kavraki, C Clementi
Proteins: Structure, Function, and Bioinformatics 76 (4), 837-851, 2009
Guiding the search for native-like protein conformations with an ab-initio tree-based exploration
A Shehu, B Olson
The International Journal of Robotics Research 29 (8), 1106-1127, 2010
Are nicotinic acetylcholine receptors coupled to G proteins?
N Kabbani, JC Nordman, BA Corgiat, DP Veltri, A Shehu, VA Seymour, ...
Bioessays 35 (12), 1025-1034, 2013
Multi-objective stochastic search for sampling local minima in the protein energy surface
B Olson, A Shehu
Proceedings of the International Conference on Bioinformatics, Computational …, 2013
Menthol binding and inhibition of α7-nicotinic acetylcholine receptors
A Ashoor, JC Nordman, D Veltri, KHS Yang, L Al Kury, Y Shuba, ...
PloS one 8 (7), e67674, 2013
Mapping the conformation space of wildtype and mutant H-Ras with a memetic, cellular, and multiscale evolutionary algorithm
R Clausen, B Ma, R Nussinov, A Shehu
PLoS Comput Biol 11 (9), e1004470, 2015
Effective automated feature construction and selection for classification of biological sequences
U Kamath, K De Jong, A Shehu
PloS one 9 (7), e99982, 2014
Probabilistic search and optimization for protein energy landscapes
A Shehu, S Aluru, A Singh
Handbook of Computational Molecular Biology, 2013
Restriction versus guidance in protein structure prediction
JA Hegler, J Lätzer, A Shehu, C Clementi, PG Wolynes
Proceedings of the National Academy of Sciences 106 (36), 15302-15307, 2009
Evolutionary-inspired probabilistic search for enhancing sampling of local minima in the protein energy surface
BS Olson, A Shehu
Proteome Science 10 (1), 1-16, 2012
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 (16877470), 2012
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
On the characterization of protein native state ensembles
A Shehu, LE Kavraki, C Clementi
Biophysical Journal 92 (5), 1503-1511, 2007
Off-lattice protein structure prediction with homologous crossover
B Olson, K De Jong, A Shehu
Proceedings of the 15th annual conference on Genetic and evolutionary …, 2013
An evolutionary algorithm approach for feature generation from sequence data and its application to DNA splice site prediction
U Kamath, J Compton, R Islamaj-Doğan, KA De Jong, A Shehu
IEEE/ACM Transactions on Computational Biology and Bioinformatics 9 (5 …, 2012
Modeling structures and motions of loops in protein molecules
A Shehu, LE Kavraki
Entropy 14 (2), 252-290, 2012
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
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