All Stories

  1. SOBA: Development and testing of a soluble oligomer binding assay for detection of amyloidogenic toxic oligomers

    Article • Proceedings of the National Academy of Sciences, December 2022, Proceedings of the National Academy of Sciences

    Professor Valerie Daggett

  2. Dynameomics: Data‐driven methods and models for utilizing large‐scale protein structure repositories for improving fragment‐based loop prediction

    Article • Protein Science, September 2014, Wiley

    Professor Valerie Daggett

  3. Designed α-sheet peptides inhibit amyloid formation by targeting toxic oligomers

    Article • eLife, July 2014, eLife

    Dr Ravi P Barnwal, Professor Valerie Daggett, Dr. Ravi Pratap Barnwal

  4. Structural and Dynamic Properties of the Human Prion Protein

    Article • Biophysical Journal, March 2014, Elsevier

    Professor Valerie Daggett

  5. Molecular Dynamics Simulations Capture the Misfolding of the Bovine Prion Protein at Acidic pH

    Article • Biomolecules, February 2014, MDPI AG

    Professor Valerie Daggett

  6. Different misfolding mechanisms converge on common conformational changes

    Article • Prion, January 2014, Taylor & Francis

    Professor Valerie Daggett

  7. Structural Consequences of Mutations to the α-Tocopherol Transfer Protein Associated with the Neurodegenerative Disease Ataxia with Vitamin E Deficiency

    Article • Biochemistry, June 2013, American Chemical Society (ACS)

    Professor Valerie Daggett

  8. Using simulations to provide the framework for experimental protein folding studies

    Article • Archives of Biochemistry and Biophysics, March 2013, Elsevier

    Professor Valerie Daggett

  9. Protein Folding: Molecular Dynamics Simulations

    Article • January 2013, Springer Science + Business Media

    Professor Valerie Daggett

  10. Understanding protein unfolding from molecular simulations

    Article • Wiley Interdisciplinary Reviews Computational Molecular Science, January 2012, Wiley

    Professor Valerie Daggett

  11. A temperature-dependent conformational change of NADH oxidase from Thermus thermophilus HB8

    Article • Proteins Structure Function and Bioinformatics, November 2011, Wiley

    Professor Valerie Daggett

  12. Protein simulation data in the relational model

    Article • The Journal of Supercomputing, September 2011, Springer Science + Business Media

    Professor Valerie Daggett

  13. Structural Effects of the L145Q, V157F, and R282W Cancer-Associated Mutations in the p53 DNA-Binding Core Domain

    Article • Biochemistry, June 2011, American Chemical Society (ACS)

    Professor Valerie Daggett

  14. The dynameomics rotamer library: Amino acid side chain conformations and dynamics from comprehensive molecular dynamics simulations in water

    Article • Protein Science, January 2011, Wiley

    Professor Valerie Daggett

  15. Dynameomics: protein dynamics and unfolding across fold space

    Article • BioMolecular Concepts, December 2010, De Gruyter

    Professor Valerie Daggett

  16. Polymorphisms and disease: hotspots of inactivation in methyltransferases

    Article • Trends in Biochemical Sciences, October 2010, Elsevier

    Professor Valerie Daggett

  17. ChemInform Abstract: Molecular Dynamics Simulations of the Protein Unfolding/Folding Reaction

    Article • ChemInform, May 2010, Wiley

    Professor Valerie Daggett

  18. Importance of Protein Context on the Unfolding Pathways of β-hairpins

    Article • Biophysical Journal, January 2010, Elsevier

    Professor Valerie Daggett

  19. Identification of Multiple Folding Pathways Shared by Three-Helix Bundle Proteins

    Article • Biophysical Journal, January 2010, Elsevier

    Professor Valerie Daggett

  20. Molecular Dynamics Simulations of Consensus Tetratricopeptide Repeat Proteins

    Article • Biophysical Journal, January 2010, Elsevier

    Professor Valerie Daggett

  21. Determining the Molecular Basis of Disease in Single Nucleotide Polymorphism Variants using Wavelet Analysis

    Article • Biophysical Journal, January 2010, Elsevier

    Professor Valerie Daggett

  22. Effects of Cardiac TnC Variants on cTnC-cTnI Interaction;Solution and Molecular Dynamics Simulation Studies

    Article • Biophysical Journal, January 2010, Elsevier

    Professor Valerie Daggett

  23. Protein folding and binding: moving into unchartered territory

    Article • Current Opinion in Structural Biology, February 2009, Elsevier

    Professor Valerie Daggett

  24. Dynameomics: Large‐scale assessment of native protein flexibility

    Article • Protein Science, December 2008, Wiley

    Professor Valerie Daggett

  25. Four Human Thiopurine S-Methyltransferase Alleles Severely Affect Protein Structure and Dynamics

    Article • Journal of Molecular Biology, June 2008, Elsevier

    Professor Valerie Daggett

  26. Species variation in PrPSc protofibril models

    Article • Journal of Materials Science, May 2008, Springer Science + Business Media

    Professor Valerie Daggett

  27. The Histamine N -Methyltransferase T105I Polymorphism Affects Active Site Structure and Dynamics †

    Article • Biochemistry, January 2008, American Chemical Society (ACS)

    Professor Valerie Daggett

  28. Molecular Mechanism for Low pH Triggered Misfolding of the Human Prion Protein †

    Article • Biochemistry, March 2007, American Chemical Society (ACS)

    Professor Valerie Daggett

  29. Direct Observation of Microscopic Reversibility in Single-molecule Protein Folding

    Article • Journal of Molecular Biology, February 2007, Elsevier

    Professor Valerie Daggett

  30. Folding Mechanisms of Proteins with High Sequence Identity but Different Folds†

    Article • Biochemistry, February 2007, American Chemical Society (ACS)

    Professor Valerie Daggett

  31. Folding and binding: implementing the game plan

    Article • Current Opinion in Structural Biology, February 2007, Elsevier

    Professor Valerie Daggett

  32. α-Sheet: The Toxic Conformer in Amyloid Diseases?

    Article • ChemInform, December 2006, Wiley

    Professor Valerie Daggett

  33. Structural Properties of Prion Protein Protofibrils and Fibrils:  An Experimental Assessment of Atomic Models †

    Article • Biochemistry, December 2006, American Chemical Society (ACS)

    Professor Valerie Daggett

  34. α-Sheet:  The Toxic Conformer in Amyloid Diseases?

    Article • Accounts of Chemical Research, September 2006, American Chemical Society (ACS)

    Professor Valerie Daggett

  35. Protein Folding—Simulation

    Article • ChemInform, August 2006, Wiley

    Professor Valerie Daggett

  36. Φ-Analysis at the Experimental Limits: Mechanism of β-Hairpin Formation

    Article • Journal of Molecular Biology, July 2006, Elsevier

    Professor Valerie Daggett

  37. Protein Folding−Simulation

    Article • Chemical Reviews, May 2006, American Chemical Society (ACS)

    Professor Valerie Daggett

  38. Faculty Opinions recommendation of Ultra-fast barrier-limited folding in the peripheral subunit-binding domain family.

    Article • October 2005, F1000Research

    Professor Valerie Daggett

  39. Faculty Opinions recommendation of The most infectious prion protein particles.

    Article • October 2005, F1000Research

    Professor Valerie Daggett

  40. Local environmental effects on the structure of the prion protein

    Article • Comptes Rendus Biologies, October 2005, Elsevier

    Professor Valerie Daggett

  41. Insight into Ribonuclease A Domain Swapping by Molecular Dynamics Unfolding Simulations †

    Article • Biochemistry, March 2005, American Chemical Society (ACS)

    Professor Valerie Daggett

  42. The Early Steps in the Unfolding of Azurin †

    Article • Biochemistry, December 2004, American Chemical Society (ACS)

    Professor Valerie Daggett

  43. Preventing Misfolding of the Prion Protein by Trimethylamine N -Oxide †

    Article • Biochemistry, October 2004, American Chemical Society (ACS)

    Professor Valerie Daggett

  44. Molecular basis for the extensibility of elastin

    Article • January 2003, Springer Science + Business Media

    Professor Valerie Daggett

  45. Is there a unifying mechanism for protein folding?

    Article • Trends in Biochemical Sciences, January 2003, Elsevier

    Professor Valerie Daggett

  46. All-Atom Simulations Of Protein Folding And Unfolding

    Article • January 2003, Elsevier

    Professor Valerie Daggett

  47. The molecular basis of the temperature- and pH-induced conformational transitions in elastin-based peptides

    Article • Biopolymers, December 2002, Wiley

    Professor Valerie Daggett

  48. A microscopic view of peptide and protein solvation

    Article • Biophysical Chemistry, December 2002, Elsevier

    Professor Valerie Daggett

  49. Increasing Temperature Accelerates Protein Unfolding Without Changing the Pathway of Unfolding

    Article • Journal of Molecular Biology, September 2002, Elsevier

    Professor Valerie Daggett

  50. Stabilization of Globular Proteins via Introduction of Temperature-Activated Elastin-Based Switches

    Article • Structure, July 2002, Elsevier

    Professor Valerie Daggett

  51. Molecular Dynamics Simulations of the Protein Unfolding/Folding Reaction

    Article • Accounts of Chemical Research, June 2002, American Chemical Society (ACS)

    Professor Valerie Daggett

  52. Probing the Energy Landscape of Protein Folding/Unfolding Transition States

    Article • Journal of Molecular Biology, May 2002, Elsevier

    Professor Valerie Daggett

  53. Protein Modeling: Folding�������Unfolding Dynamics

    Article • April 2002, Wiley

    Professor Valerie Daggett

  54. Protein Folding and Unfolding at Atomic Resolution

    Article • Cell, February 2002, Elsevier

    Professor Valerie Daggett

  55. The molecular basis for the inverse temperature transition of elastin11Edited by A. R. Fersht

    Article • Journal of Molecular Biology, January 2001, Elsevier

    Professor Valerie Daggett

  56. Simulations and computational analyses of prion protein conformations

    Article • January 2001, Elsevier

    Professor Valerie Daggett

  57. Introduction of Temperature-Sensitive Elastin-Based Switches to Stabilize Globular Proteins

    Article • January 2001, Springer Science + Business Media

    Professor Valerie Daggett

  58. Analysis methods for comparison of multiple molecular dynamics trajectories: applications to protein unfolding pathways and denatured ensembles 1 1Edited by A. R. Fersht

    Article • Journal of Molecular Biology, July 1999, Elsevier

    Professor Valerie Daggett

  59. Non-native interactions in protein folding intermediates: molecular dynamics simulations of hen lysozyme

    Article • Journal of Molecular Biology, December 1998, Elsevier

    Professor Valerie Daggett

  60. Structure-function aspects of prion proteins

    Article • Current Opinion in Biotechnology, October 1998, Elsevier

    Professor Valerie Daggett

  61. Altering Diffusivity in Biological Solutions through Modification of Solution Structure and Dynamics

    Article • Journal of the American Chemical Society, September 1998, American Chemical Society (ACS)

    Professor Valerie Daggett

  62. Structure-function aspects of prion proteins

    Article • Current Opinion in Biotechnology, August 1998, Elsevier

    Professor Valerie Daggett

  63. Molecular dynamics simulations of hydrophobic collapse of ubiquitin

    Article • Protein Science, April 1998, Wiley

    Professor Valerie Daggett

  64. Simulations of the structural and dynamical properties of denatured proteins: the “molten coil” state of bovine pancreatic trypsin inhibitor

    Article • Journal of Molecular Biology, March 1998, Elsevier

    Professor Valerie Daggett

  65. Conformational search using a molecular dynamics-minimization procedure: Applications to clusters of coulombic charges, Lennard-Jones particles, and waters

    Article • Journal of Computational Chemistry, January 1998, Wiley

    Professor Valerie Daggett

  66. Molecular dynamics simulation of the unfolding of barnase: characterization of the major intermediate 1 1Edited by A. R. Fersht

    Article • Journal of Molecular Biology, January 1998, Elsevier

    Professor Valerie Daggett

  67. The prion folding problem

    Article • Current Opinion in Structural Biology, February 1997, Elsevier

    Professor Valerie Daggett

  68. Protein Dynamics: A Theoretical Perspective

    Article • January 1997, Elsevier

    Professor Valerie Daggett

  69. Molecular dynamics simulations of apocytochrome b562–  the highly ordered limit of molten globules

    Article • Folding and Design, October 1996, Elsevier

    Professor Valerie Daggett

  70. Identification and Characterization of the Unfolding Transition State of Chymotrypsin Inhibitor 2 by Molecular Dynamics Simulations

    Article • Journal of Molecular Biology, March 1996, Elsevier

    Professor Valerie Daggett

  71. Potential energy function and parameters for simulations of the molecular dynamics of proteins and nucleic acids in solution

    Article • Computer Physics Communications, September 1995, Elsevier

    Professor Valerie Daggett

  72. Molecular Dynamics Simulation of Cytochrome b5: Implications for Protein-Protein Recognition

    Article • Biochemistry, August 1995, American Chemical Society (ACS)

    Professor Valerie Daggett

  73. pH-Dependent Conformations of the Amyloid .beta.(1-28) Peptide Fragment Explored Using Molecular Dynamics

    Article • Biochemistry, June 1995, American Chemical Society (ACS)

    Professor Valerie Daggett

  74. Protein folding↔unfolding dynamics

    Article • Current Opinion in Structural Biology, January 1994, Elsevier

    Professor Valerie Daggett

  75. Protein Unfolding Pathways Explored Through Molecular Dynamics Simulations

    Article • Journal of Molecular Biology, July 1993, Elsevier

    Professor Valerie Daggett

  76. A Model for the Molten Globule State of CTF Generated Using Molecular Dynamics

    Article • January 1993, Elsevier

    Professor Valerie Daggett

  77. Molecular dynamics simulations of helix denaturation

    Article • Journal of Molecular Biology, February 1992, Elsevier

    Professor Valerie Daggett

  78. Molecular dynamics simulations of small peptides: Dependence on dielectric model and pH

    Article • Biopolymers, February 1991, Wiley

    Professor Valerie Daggett

  79. Molecular Dynamics Simulations of Protein Unfolding/Folding

    Article • Springer Science + Business Media

    Professor Valerie Daggett