Publications

  • "The Minimized Dead-End Elimination Criterion and its Application to Protein Redesign in a Hybrid Scoring and Search Algorithm for Computing Partition Functions over Molecular Ensembles." Ivelin Georgiev, Ryan Lilien, Bruce Donald, Journal of Computational Chemistry, (in press) (2008).
  • "Adapting a Single-user, Single-display Molecular Visualization Application for Use in a Multi-user, Multi-display Environment." Clifton Forlines, Ryan Lilien, Proc. Advanced Visual Interfaces (AVI), Napoli, Italy, (in press) (2008).
  • "Allosteric Inhibition of the Protein-Protein Interaction between the Leukemia-Associated Proteins Runx1 and CBFB." Michael Gorczynski, Jolanta Grembecka, Yunpeng Zhou, Yali Kong, Liya Roudaia, Michael Douvas, Miki Newman, Izabela Bielnicka, Gwen Baber, Takeshi Corpora, Jianxia Shi, Mohini Sridharan, Ryan Lilien, Bruce Donald, Nancy Speck, Milton Brown, John Bushweller, Chemistry & Biology, 14(10):1186-97 (2007).
  • "Redesigning the PheA Domain of Gramicidin Synthetase Leads to a New Understanding of the Enzyme's Mechanism and Selectivity." Brian Stevens, Ryan H. Lilien, Ivelin Georgiev, Bruce R. Donald, Amy C. Anderson, Biochemistry, 45(51):15495-15504 (2006).
  • "Improved Pruning Algorithms and Divide-and-Conquer Strategies for Dead-End Elimination, with Application to Protein Design." Ivelin Georgiev, Ryan H. Lilien, Bruce R. Donald, Bioinformatics, 22(14):e174-183 (2006). [PDF]
       Article also appeared as:
       "Improved Pruning Algorithms and Divide-and-Conquer Strategies for Dead-End
       Elimination, with Application to Protein Design.", Proc. International Conference
       on Intelligent Systems for Molecular Biology (ISMB),
    Fortaleza, Brazil, (2006)
  • "A Novel Minimized Dead-End Elimination Criterion and Its Application to Protein Redesign in a Hybrid Scoring and Search Algorithm for Computing Partition Functions over Molecular Ensembles." Ivelin Georgiev*, Ryan H. Lilien*, Bruce R. Donald, Proc. The Tenth Annual International Conference on Research in Computational Molecular Biology (RECOMB), Venice, Italy, pp 530-545 (2006). *contributed equally
  • "High-Throughput Inference of Protein-Protein Interfaces from Unassigned NMR Data." Ramgopal R. Mettu, Ryan H. Lilien, Bruce R. Donald, Bioinformatics, 21(Suppl. 1):i292-i301 (2005). [PDF]
       Article also appeared as:
       "High-Throughput Inference of Protein-Protein Interfaces from Unassigned
       NMR Data." Proc. International Conference on Intelligent Systems for
       Molecular Biology (ISMB)
    , Detroit, MI, (2005).
  • "A Novel Ensemble-Based Scoring and Search Algorithm for Protein Redesign, and its Application to Modify the Substrate Specificity of the Gramicidin Synthetase A Phenylalanine Adenylation Enzyme." Ryan H. Lilien, Brian W. Stevens, Amy C. Anderson, Bruce R. Donald, Journal of Computational Biology, 12(6-7):740-761 (2005). [PDF]
       Article also appeared as:
       "A Novel Ensemble-Based Scoring and Search Algorithm for Protein Redesign,
       and its Application to Modify the Substrate Specificity of the Gramicidin
       Synthetase A Phenylalanine Adenylation Enzyme." Proc. The Eighth Annual
       International Conference on Research in Computational Molecular Biology
       (RECOMB)
    , San Diego, pp 46-57 (2004).
  • "A Subgroup Algorithm to Identify Cross-Rotation Peaks Consistent with Non-Crystallographic Symmetry." Ryan H. Lilien, Chris Bailey-Kellogg, Amy C. Anderson, Bruce R. Donald, Acta Crystallographica D: Biological Crystallography, 60:1057-1067 (2004). [PDF]
  • "Optimization and Dynamics of Protein-Protein Complexes Using B-Splines." Richard E. Gillilan, Ryan H. Lilien, Journal of Computational Chemistry, 25(13):1630-1646 (2004).
  • "A Polynomial-Time Nuclear Vector Replacement Algorithm for Automated NMR Resonance Assignments." Christopher J. Langmead, Anthony K. Yan, Ryan Lilien, Lincong Wang, Bruce R. Donald, Journal of Computational Biology, 11:277-298 (2004).
       Article also appeared as:
       "A Polynomial-Time Nuclear Vector Replacement Algorithm for Automated
       NMR Resonance Assignments." Proc. The Seventh Annual International
       Conference on Research in Computational Molecular Biology (RECOMB)
    ,
       Berlin, pp 176-186 (2003). [PDF]
  • "Phylogenetic Classification of Protozoa Based on the Structure of the Linker Domain in the Bifunctional Enzyme dihydrofolate reductase-thymidylate synthase." Rob H. O'Neil, Ryan H. Lilien, Bruce R. Donald, Robert M. Stroud, Amy C. Anderson, Journal of Biological Chemistry, 278(52):52980-52987 (2003). [PDF]
  • "The Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Reveals a Novel Architecture for the Bifunctional Enzyme." Rob H. O'Neil, Ryan H. Lilien, Bruce R. Donald, Robert M. Stroud, Amy C. Anderson, Journal of Eukaryotic Microbiology, Supplement to Volume 50:555-556 (2003).
  • "An Exact Algorithm For Determining Protein Backbone Structure From NH Residual Dipolar Couplings." Lincong Wang, Ramgopal R. Mettu, Ryan H. Lilien, Bruce R. Donald, Proc. IEEE Computer Society Bioinformatics Conference (CSB), Stanford University, Palo Alto CA, pp 611-612 (2003). (Poster) *Winner of Best Poster Award* [PDF]
  • "Hemopericardium and Cardiac Tamponade as Presenting Findings of Dexamethasone-Induced Hypertrophic Cardiomyopathy Complicated by Transmural Myocardial Infarction." L.D. Lilien, R.H. Lilien, S. Setrakian, Pediatric Cardiology, 24:280-283 (2003).
  • "Probabilistic Disease Classification of Expression-Dependent Proteomic Data from Mass Spectrometry of Human Serum." Ryan H. Lilien, Hany Farid, and Bruce R. Donald, Journal of Computational Biology, 10(6):925-946 (2003). [PDF]
  • "Physical Geometric Algorithms for Structural Molecular Biology." Chris Bailey-Kellogg, John J. Kelley III, Ryan Lilien, and Bruce Randall Donald, Invited paper at the Special Session on Computational Biology and Chemistry, International Conference on Robotics and Automation Seoul, Korea, pp 940-947 (2001). [PDF]
  • "View-Based Recognition Using an Eigenspace Approximation to the Hausdorff Measure." Daniel Huttenlocher, Ryan Lilien, and Clark Olson, IEEE Transactions on Pattern Analysis and Machine Intelligence, Vol 21:9:951-955 (Sept 1999). [PDF]
  • "Molecular Docking with a View: The Integration of a Monte Carlo Docking Program into a Virtual Reality Environment." Trevor Hart, Richard Gillilan, Ryan Lilien, Steven Ness, and Randy Read, High Performance Computing Systems and Applications, pp 299-308. Kluwer Academic Publisher (Summer 1998).
  • "Tetramerization of RXR: Dynamics of Molecular Assemblies at Atomic Resolution Using RIGIN Hierarchical B-Splines." Richard Gillilan, Ryan Lilien, BL Atancio, HV Shah, Journal of Molecular Graphics & Modeling, Vol 16(4-6):285-285 (1998).
  • "Object Recognition Using Subspace Methods." Daniel Huttenlocher, Ryan Lilien, and Clark Olson, Proceedings of the European Conference on Computer Vision, pp 536-545 (1996).
 
Posters / Abstracts

  • "The Dartmouth CPR Score: A New Clinical Prediction Rule to Determine In-Hospital CPR Survival Based on Patient’s Pre-Arrest Characteristics." Hilary F. Ryder, Ryan H. Lilien, Frances C. Brokaw, SGIM 30th Annual Meeting, Toronto ON (April 2007). Published in The Journal of General Internal Medicine, Vol 22(Suppl. 1):10-11 (2007).
  • "Exact Solutions for Vectors and Dihedral Angles from Two RDCs and Their Application in a Systematic Search Algorithm for Determining Protein Backbone Structure." Lincong Wang, Ramgopal R Mettu, Ryan H Lilien, Anthony Yan, Bruce R Donald, Computational Aspects - Biomolecular NMR (Gordon Research Conference), Ventura CA (January 2004).
  • "Ensembles of active site conformations allow structure-based redesign and drug design." Amy C Anderson, Ryan H Lilien, Veljko Popov, Bruce R Donald, 225th American Chemical Society National Meeting, New Orleans LA (March 2003).
  • "Modeling Protein Flexibility for Structure-Based Active Site Redesign." Ryan H. Lilien, Amy C. Anderson, and Bruce R. Donald, The Sixth Annual International Conference on Research in Computational Molecular Biology (RECOMB), Washington DC (April 18-21, 2002). In Currents in Computational Molecular Biology, 2002 (ed. L. Florea et al.) pp 122-123 (2002).
  • "Modeling of Protein Flexibility for Computational Active Site Redesign." Ryan H Lilien, Amy C Anderson, and Bruce R. Donald, The 16th Annual MD/PhD Conference, Given Institute, Aspen CO (July 2001).
  • "Computational Screening Studies for Core Binding Factor Beta: Use of Multiple Conformations to Model Receptor Flexibility." Ryan Lilien, Mohini Sridharan, Xuemei Huang, John Bushweller, and Bruce Donald, The 8th International Conference on Intelligent Systems for Molecular Biology (ISMB-2000), San Diego CA (August 2000).
  • "Monte Carlo Docking of Flexible Ligands in a Virtual Reality Environment." Ryan H. Lilien, Carlos H. Faerman, Trevor N. Hart, and Richard E. Gillilan, Fall Symposium of the American Society for Biochemistry and Molecular Biology. Conference title: "Computational Biology - Methods in Biomolecular Imaging" Whistler, B.C. (October 25-28, 1996).
 
Protein Structures

  • Crystal structure of Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) from Cryptosporidium hominis, (R. O'Neil, R. Lilien, B. Donald, R. Stroud, and A. Anderson), PDB ID: [1QZF].
 
Technical Reports

  • "Identification of Novel Small Molecule Inhibitors of Core-Binding Factor Dimerization by Computational Screening against NMR Molecular Ensembles." Ryan H. Lilien, Mohini Sridharan, Bruce R. Donald, Dartmouth Computer Science Department Technical Report TR2004-492 (2004). [PDF]