Daggett Research Group | Paper of the Month | Archive
2008 | top
- January: Conformational Changes below the Tm: Molecular Dynamics Studies of the Thermal Pretransition of Ribonuclease A [DOI]
- February: The Histamine N-Methyltransferase T105I Polymorphism Affects Active Site Structure and Dynamics [DOI]
- March: Combining experiment and simulation in protein folding: closing the gap for small model systems [DOI]
- April: Different disease-causing mutations in transthyretin trigger the same conformational conversion [DOI]
- May: Dynameomics: mass annotation of protein dynamics and unfolding in water by high-throughput atomistic molecular dynamics simulations [DOI]
- June: Four Human Thiopurine S-Methyltransferase Alleles Severely Affect Protein Structure and Dynamics [DOI]
- July: Side-chain dynamics are critical for water permeation through aquaporin-1 [DOI]
- August: Microscopic Reversibility of Protein Folding in Molecular Dynamics Simulations of the Engrailed Homeodomain [DOI]
- September: The intrinsic conformational propensities of the 20 naturally occurring amino acids and reflection of these propensities in proteins [DOI]
2007 | top
- January: Structural Properties of Prion Protein Protofibrils and Fibrils: An Experimental Assessment of Atomic Models [DOI]
- February: Folding mechanisms of proteins with high sequence identity but different folds [DOI]
- March: Direct Observation of Microscopic Reversibility in Single-molecule Protein Folding [DOI]
- April: Conformational Entropy of Alanine versus Glycine in Protein Denatured States [DOI]
- May: Exploring the energy landscape of protein folding using replica-exchange and conventional molecular dynamics simulations [DOI]
- October: The role of the turn in β-hairpin formation during WW domain folding [DOI]
- November: Simulations of Macromolecules in Protective and Denaturing Osmolytes: Properties of Mixed Solvent Systems and Their Effects on Water and Protein Structure and Dynamics [DOI]
- December: A One-Dimensional Reaction Coordinate for Identification of Transition States from Explicit Solvent Pfold-Like Calculations [HTML]
2006 | top
- January: Local environmental effects on the structure of the prion protein [DOI]
- February: Characterization of Two Distinct β2-Microglobulin Unfolding Intermediates that May Lead to Amyloid Fibrils of Different Morphology [DOI]
- March: The 108M Polymorph of Human Catechol O-Methyltransferase Is Prone to Deformation at Physiological Temperatures [DOI]
- April: Importance of Context in Protein Folding: Secondary Structural Propensities versus Tertiary Contact-Assisted Secondary Structure Formation [DOI]
- May: The Folding Pathway of Spectrin R17 from Experiment and Simulations: Using Experimentally Validated MD Simulations to Characterize States Hinted at by Experiment [DOI]
- June: Protein Folding-Simulation [DOI]
- July: Φ-Analysis at the Experimental Limits: Mechanism of β-Hairpin Formation [DOI]
- September: α-Sheet: The toxic conformer in amyloid diseases? [DOI]