129 results on '"Daggett, Valerie"'
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2. Protein-Folding simulation
3. Importance of context in protein folding: Secondary structural propensities versus tertiary contact-assisted secondary structure formation
4. The 108M polymorph of human catechol O-methyltransferase is prone to deformation at physiological temperatures
5. Characterization of two distinct beta(sub 2)-microglobulin unfolding intermediates that may lead to amyloid fibrils of different morphology
6. Cutoff size need not strongly influence molecular dynamics results for solvated polypeptides
7. The early steps in the unfolding of azurin
8. Preventing misfolding of the prion protein by trimethylamine N-oxide
9. Molecular dynamics simulations of the protein unfolding/folding reaction
10. Direct comparison of experimental and calculated folding free energies for hydrophobic deletion mutants of chymotrypsin inhibitor 2: free energy perturbation calculations using transition and denaturated states from molecular dynamics simulations of unfolding
11. NMR studies of the association of cytochrome b(sub)5 with cytochrome c
12. Barstar has a highly dynamic hydrophobic core: evidence from molecular dynamics simulations and nuclear magnetic resonance relaxation data
13. Structural consequences of heme removal: molecular dynamics simulations of rat and bovine apocytochrome b5
14. Molecular dynamics simulation of cytochrome b5: implications for protein-protein recognition
15. ph-dependent conformations of the amyloid beta(1-28) peptide fragment explored using molecular dynamics
16. Sequence effects of the conformational properties of the amyloid beta(1-28) peptide: testing a proposed mechanism for the alpha to beta transition
17. Drivers of α‑Sheet Formation in Transthyretin under Amyloidogenic Conditions.
18. Diverse effects on the native [beta]-sheet of the human prion protein due to disease-associated mutations
19. Principles of ligand binding within a completely buried cavity in HIF2[alpha] PAS-
20. The R46Q, R131Q and R154H polymorphs of human DNA glycosylase/[beta]-lyase hOgg1 severely distort the active site and DNA recognition site but do not cause unfolding
21. A hotspot of inactivation: the A22S and V108M polymorphisms individually destabilize the active site structure of catechol O-methyltransferase
22. Microscopic reversibility of protein folding in molecular dynamics simulations of the engrailed homeodomain
23. Formation of ice-like water structure on the surface of an antifreeze protein
24. The histamine N-methyltransferase T105I polymorphism affects active site structure and dynamics
25. Conformational changes below the [T.sub.m]: molecular dynamics studies of the thermal pretransition of ribonuclease A
26. Molecular mechanism for low pH triggered misfolding of the human prion protein
27. Folding mechanisms of proteins with sequence identity but different folds
28. [Alpha]-sheet: The toxic conformer in amyloid diseases?
29. Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations
30. The molecular mechanism of stabilization of proteins by TMAO and its ability to counteract the effects of urea
31. Hydrophobic hydration is an important source of elasticity in elastin-based biopolymers
32. Validating Molecular Dynamics Simulations against Experimental Observables in Light of Underlying Conformational Ensembles.
33. Chemical and Physical Variability in Structural Isomers of an l/d α-Sheet Peptide Designed To Inhibit Amyloidogenesis.
34. The Dynameomics Entropy Dictionary: A Large-Scale Assessment of Conformational Entropy across Protein Fold Space.
35. Altering diffusivity in biological solutions through modification of solution structure and dynamics
36. Engineering out motion: introduction of a de novo disulfide bond and a salt bridge designed to close a dynamic cleft on the surface of cytochrome b5
37. Engineering out motion: a surface disulfide bond alters the mobility of tryptophan 22 in cytochrome b5 as probed by time-resolved fluorescence and 1H NMR experiments
38. Combined molecular dynamics and phi-value analysis of structure-reactivity relationships in the transition state and unfolding pathway of barnase: structural basis of Hammond and anti-Hammond effects
39. Structural Consequences of Mutations to the α-Tocopherol Transfer Protein Associated with the Neurodegenerative Disease Ataxia with Vitamin E Deficiency.
40. A Comparison of MultiscaleMethods for the Analysisof Molecular Dynamics Simulations.
41. Structural and Functional Consequences of the Cardiac Troponin C L48Q Ca2+-Sensitizing Mutation.
42. Structural Effects of the L145Q, V157F, and R282W Cancer-Associated Mutations in the p53 DNA-Binding Core Domain.
43. Manifestations of Native Topology in the Denatured State Ensemble of Rhodopseudomonas palustris Cytochrome c′.
44. Conformational Changes below the Tm: Molecular Dynamics Studies of the Thermal Pretransition of Ribonuclease A.
45. Folding Mechanisms of Proteins with High Sequence Identity but Different Folds.
46. Characterization of Two Distinct β2-Microglobulin Unfolding Intermediates that May Lead to Amyloid Fibrils of Different Morphology.
47. Direct Comparison of Experimental and Calculated Folding Free Energies for Hydrophobic Deletion....
48. NMR Studies of the Association of Cytochrome b[sub 5] with Cytochrome c.
49. Combined Molecular Dynamics and ...-Value Analysis of Structure-Reactivity Relationships in the...
50. The Molecular Mechanism of Stabilization of Proteins by TMAO and its Ability to Counteract the Effects of Urea.
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