- Abstracts are typically 1-2 paragraph submissions that are reviewed and accepted predominantly as posters at conferences and workshops; some are selected to be presented as oral presentations, where indicated. Extended abstracts are typically viewed as condensed manuscript submissions of 1-3 pages, also peer-reviewed by two reviewers. All extended abstracts listed here are indexed by IEEE or ACM and links are provided. For many of the abstracts and extended abstracts listed here, actual posters presented at conferences and symposia are also provided, in pdf format.
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Shehu's advisees indicated by: high-school (h), undergraduate (u)
and graduate (g) students.
Corresponding authors are indicated by (*).
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"Incorporation of Machine Learning Strategies in the Development of Quaternary Ammonium Compounds."
American Chemical Society National Meeting,
Indianapolis, IN, March, 2023.
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"Computational evidence of BRCA1-NC3 receptor interaction and druggability analysis in BRCA1-related oncogenesis."
American Society of Human Genetics Symposium,
Virtual, October, 2021.
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"3D confirmation analysis of the FGFR2 kinase domain with disease-associated mutations reveals novel features that correlate with clinical presentation."
American Society of Human Genetics Symposium,
Virtual, October, 2021.
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"Exploring the Space of Antimicrobial Peptides Guided by a Deep Learning Model."
Biophysical Society Meeting,
Baltimore, MD, March, 2019.
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"Unsupervised Learning of Conformational States Present in Molecular Dynamics Simulation Data for Summarization of Equilibrium Conformational Dynamics."
Biophysical Society Meeting,
Baltimore, MD, March, 2019.
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"Unsupervised Learning for Decoy Selection in Protein Structure Prediction."
Biophysical Society Meeting,
Baltimore, MD, March, 2019.
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"A Multi-Objective Stochastic Optimization Approach for Decoy Generation in Template-Free Protein Structure Prediction."
Biophysical Society Meeting,
Baltimore, MD, March, 2019.
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Systematic Study of Different Design Decisions in Markov Model-based Analysis of Molecular Structure Data." (extended abstract and poster presentation, pg. 508-509).
ACM BCB.
Washington, DC, August 29 - September 01, 2018.
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"ACM-BCB ’18 Tutorial: Modeling Macromolecular Structures and Motions: Computational Methods for Sampling and Analysis of Energy Landscapes." (abstract and tutorial presentation, pg. 554).
ACM BCB.
Washington, DC, August 29 - September 01, 2018.
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"Reconstruction and Mining of Energy Landscapes of Ras Variants." (abstract and presentation).
Ras Initiative Symposium, Frederick National Laboratory for Cancer Research, National Cancer Institute, Frederick, Maryland.
December 6-8, 2017.
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"Guiding Stochastic Optimization Algorithms with Experimental Data to Model Protein Energy landscapes and Structural Transitions." (abstract and presentation).
Thematic Meeting of the Biophysical Society: Conformational Ensembles from Experimental Data and Computer Simulations.
Berlin, Germany, August 25-29, 2017.
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"ACM-BCB ’17 Tutorial: Robotics-inspired Algorithms for Modeling Protein Structures and Motions." (abstract and tutorial presentation, pg. 628).
ACM BCB.
Boston, MA, August 20-23, 2017.
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"From Mutations to Mechanisms and Dysfunction via Computation and Mining of Protein Energy Landscapes." (abstract and presentation).
3DSIG at Intelligent Systems for Molecular Biology (ISMB).
Prague, Czech Republic, July 22-23, 2017.
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"Evolutionary Search For Paths on Protein Energy Landscapes." (2-page poster paper).
ACM GECCO.
Berlin, Germany, July 15-19, 2017.
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"Big, Molecular Structure Data Demand Automated Landscape Analysis." (abstract and presentation).
UC Davis RTG Statistical Sciences Symposium: Geometry, Statistics, and Data Analysis.
Davis, California, May 19-20, 2017.
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"A Sampling-based Algorithm for Modeling Protein Conformational Switching." (extdended abstract and presentation).
3DSIG at Intelligent Systems for Molecular Biology (ISMB)
Orlando, Florida, July 8-12, 2016. Outstanding research presentation award.
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"Modeling BAG3-associated cardiomyocyte dysfunction via genome editing in induced pluripotent stem cells." (poster).
CRISPR Precision Gene Editing Congress,
Boston, Massachussetts, February 23-25, 2016.
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"Modeling BAG3-associated cardiomyocyte dysfunction via genome editing in induced pluripotent stem cells." (poster).
Keystone Symposia on Molecular and Cellular Biology: Heart Failure: Genetics, Genomics and Epigenetics,
Snowbird Resort, Snowbird, Utah, April 3-7, 2016.
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"Platform to Support Intensive Webserver Computations on Argo." (poster).
Volgenau School of Engineering Undergraduate Research Celebration,
Fairfax, VA, April, 2015.
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"A new Distance Function for Protein Structures for the Decoy Selection Problem in De-novo Structure Prediction." (poster).
Volgenau School of Engineering Undergraduate Research Celebration,
Fairfax, VA, April, 2015.
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"A Novel Evolutionary Algorithm to Model Energy Landscapes of Wildtype and Variant Sequences of H-Ras."
Biophysical Society Meeting,
Baltimore, MD, February, 2015.
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"Mapping the Structure Space of the Ras Protein using a Novel Hybrid Evolutionary Algorithm." (poster).
NIH Summer Poster Day,
Fredericks, MD, July, 2014.
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"Structural Analysis and Dynamics of the Met-Enkephalin Peptide." (poster).
American Chemical Society (ACS) Undergraduate Research Poster Session,
Charlottesville, VA, April, 2014.
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"Modeling Binding of Amyloid beta-42 Peptide to the Alpha 7 Nicotinic Receptor." (poster)
Presented at the Mason Annual Volgenau School of Engineering Undergraduate Research Celebration and the Mason COS Undergraduate Research Colloquium,
Fairfax, VA, April, 2014.
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"Conformational Sampling and Principal Component Analysis of the Met-Enkephalin Peptide." (poster)
Presented at the Mason Annual Volgenau School of Engineering Undergraduate Research Celebration and the Mason COS Undergraduate Research Colloquium,
Fairfax, VA, April, 2014.
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"Molecular Dynamics Simulation of the Met-Enkephalin Peptide with Explicit Solvent." (poster)
Presented at the Mason Annual Volgenau School of Engineering Undergraduate Research Celebration and the Mason COS Undergraduate Research Colloquium,
Fairfax, VA, April, 2014.
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"A Clustering Algorithm for Molecular Structures: Application on the Met-Enkephalin Peptide." (poster)
Presented at the Mason Annual Volgenau School of Engineering Undergraduate Research Celebration and the Mason COS Undergraduate Research Colloquium,
Fairfax, VA, April, 2014.
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"A PCA-guided Search Algorithm to Probe the Conformational Space of the Ras Protein." (extended abstract and poster).
ACM Conference on Bioinf and Comp Biol (BCB),
Washington, D.C., September, 2013.
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"Protein-protein Docking using Information from Native Interaction Sites." (extended abstract and poster).
ACM Conference on Bioinf and Comp Biol (BCB),
Washington, D.C., September, 2013.
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"A Multi-objective Guided Evolutionary Search Algorithm for Sampling Near-native Protein Conformations." (poster).
AAAI Workshop,
Bellevenue, WA, July, 2013.
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"Towards Classification and Virtual Screening of Antimicrobial Peptides with Regression-based Binary Response Models."
Nonclinical Biostatistics Conference (NBC),
Villanova University, PA, 2013 (accepted as oral presentation).
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"Higher-order Representations for Automated Organization of Protein Structure Space." (poster)
Celebration of Undergraduate Student Scholarship,
George Mason University, Fairfax, VA, 2013.
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"An Evolutionary-inspired Probabilistic Search Algorithm to Structurally Characterize the Native State of a Novel Protein Sequence." (poster)
National Council of Undergraduate Research (NCUR),
University of Wisconsin-La Crosse, WI, 2013.
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"Probabilistic Methods for Modeling Structures and Motions of Protein Systems."
NSF Grants Conference,
Fairfax, VA, 2012.
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"From Coarse-grained Conformations to Motion Pathways in Proteins." (poster)
Thomas Jefferson Senior Research Day,
Alexandria, VA, 2013.
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"Supersecondary Structure Motifs and De Novo Protein Structure Prediction." (poster)
Grace Hopper Conference Celebration of Women in Computing.
Baltimore, MD, 2012. [DREU Report]
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"An evolutionary framework to sample near-native protein conformations." (extended abstract and poster).
CSBW at IEEE BIBM Workshops (BIBM-W), pg. 933.
Philadelphia, PA, October 4-7, 2012. [indexed by IEEE]
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"Physico-chemical features for recognition of antimicrobial peptides." (extended abstract and poster).
CSBW at IEEE BIBM Workshops (BIBM-W), pg. 942.
Philadelphia, PA, October 4-7, 2012. [indexed by IEEE]
"An evolutionary search framework to efficiently sample local minima in the protein conformational space." (extended abstract and poster)
ACM BCB, pg. 590.
Orlando, FL, September, 2012. [indexed by ACM]
"Sampling low-energy protein-protein configurations with basin hopping." (extended abstract and poster).
IEEE BIBM, pg. 947.
Philadelphia, PA, October 4-7, 2012 (best poster award). [indexed by IEEE]
"Jumping low, jumping high: Controlling hopping in the protein energy surface." (extended abstract and poster).
IEEE BIBM, pg. 946.
Philadelphia, PA, October 4-7, 2012. [indexed by IEEE]
"A tree-based search to bias sampling of protein decoy conformations." (extended abstract and poster).
IEEE BIBM, pg. 978.
Philadelphia, PA, October 4-7, 2012. [indexed by IEEE]
"Mapping conformational pathways between known functional protein states." (extended abstract and poster).
BIBMW Comput Struct Biol Workshop (CSBW), pg. 971.
Philadelphia, PA, October 4-7, 2012. [indexed by IEEE]
"Refinement of Coarse-grained Near-native Protein Conformations Using AMBER FF99SB Force Field."
Aspiring Scientist Summer Internship Program (ASSIP) Poster Presentations, (poster)
Manassas, Virginia, August, 2012.
"An Evolutionary-inspired Probabilistic Search Algorithm to Structurally Characterize the Native State of a Novel Protein Sequence." (poster)
Celebration of Student Scholarship,
George Mason University, Fairfax, VA, 2012.
"Revisiting Evolutionary Search for Effective Sampling of Near-native Conformations in the Protein Conformational Space." (poster)
Virginia Academy of Sciences,
Norfolk, VA, 2012.
"An Evolutionary-inspired Probabilistic Search Algorithm to Structurally Characterize the Native State of a Novel Protein Sequence." (poster)
College of Science Symposium, George Mason University,
Fairfax, VA, 2012.
Protein Society,
San Diego, CA, 2012.
Intelligent Systems for Molecular Biology (ISMB),
Long Beach, CA, 2012.
IEEE BIBM, pg. 991-993.
Atlanta, GA, November 12-15, 2012. [indexed by IEEE]
55th Annual Meeting of the Biophysical Society,
Baltimore, Maryland, 2011.
BIBMW Comput Struct Biol Workshop (CSBW),
Atlanta, GA, November, 2011.
IEEE Intl Conf on Biomed and Bioinf (BIBM),
Atlanta, GA, November, 2011.
Annual RECOMB Satellite on Regulatory Genomics and Systems Biology,
MIT, Boston, Massachusetts, 2009 (accepted as oral presentation).
Grace Hopper Conference Celebration of Women in Computing,
Tucson, Arizona, 2009. [DREU Report]
Aspiring Scientist Summer Internship Program (ASSIP) Poster Presentations,
Manassas, Virginia, 2009.
Protein Folding Dynamics Gordon Research Conference,
Ventura, CA, 2008.
"Multiscale framework for the characterization of protein native states."
National Meeting of the American Chemical Society,
New Orleans, LA, 2008.
"Detailed Conformational Characterization of the Native State of Cyclic Cysteine-Rich Peptides Using Minimal Information."
13th Annual Structural Biology Symposium at UTMB,
Galveston, TX, May, 2007. abstract
"A Method to Model Conformational Ensembles of Proteins at Equilibrium."
11th Annual Structural Biology Symposium at UTMB,
Galveston, TX, May, 2006. abstract
"Advances in Predicting Protein conformational Ensembles at Equilibrium: A Multiscaling Framework."
62nd Southwest Regional Meeting of the American Chemical Society,
Houston, TX, October, 2006. abstract
"A Computational Method for Capturing Structures and Properties in Proteins."
23rd Annual Houston Conferenc on Biomedical Engineering Research,
Houston, TX, February, 2006.
10th Structural Biology Symposium at UTMB,
Galveston, TX, 2005 abstract.
KECK Annual Research Conference of the Gulf Coast Consortia,
Houston, TX, 2004-2005. abstract
Multiscale Modeling in Soft Matter and Biophysics Workshop,
Institute for Pure and Applied Mathematics (IPAM) at UCLA, Los Angeles, 2005.
"Sampling Biomolecular Conformations with Spatial and Energetic Constraints."
8th Johns Hopkins Folding Meeting,
Baltimore, MD, March, 2005.
Rice University Corporate Affiliates Meeting,
Houston, TX, 2003-2007 (best poster award in 2003).
AMS/MAA Joint Mathematics Meeting,
San-Diego, California, 2002 (best poster prize) [local copy].
"Complexity Results on Testing Dimension in Graphs."
Symposium On Undergraduate Research Experience (SURE),
Potsdam, NY, 2001 [local copy].
