117 results on '"Smith, Jeremy C."'
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2. Drugging the entire human proteome: Are we there yet?
3. Targeted inhibition of MASTL kinase activity induces apoptosis in breast cancer
4. Water molecule ordering on the surface of an intrinsically disordered protein
5. Structure-guided design of a broadly cross-reactive multivalent group a streptococcal vaccine
6. Domain camoflouge of c-Src: segmental labeling highlights oncoprotein domains for neutron scattering
7. A Model for the Signal Initiation Complex Between Arrestin-3 and the Src Family Kinase Fgr
8. Locking out water at 100°C
9. Lpp positions peptidoglycan at the AcrA-TolC interface in the AcrAB-TolC multidrug efflux pump
10. The carboxylation status of osteocalcin has important consequences for its structure and dynamics
11. Cross-reactive immunogenicity of group A streptococcal vaccines designed using a recurrent neural network to identify conserved M protein linear epitopes
12. Effects of sodium and calcium chloride ionic stresses on model yeast membranes revealed by molecular dynamics simulation
13. Mesophilic Pyrophosphatase Function at High Temperature: A Molecular Dynamics Simulation Study
14. Discovery of multidrug efflux pump inhibitors with a novel chemical scaffold
15. Four countries for science
16. Prediction of peptide binding to MHC using machine learning with sequence and structure-based feature sets
17. Structure-based group A streptococcal vaccine design: Helical wheel homology predicts antibody cross-reactivity among streptococcal M protein–derived peptides
18. Modeling the Placement of the AcrAB-TolC Multidrug Efflux Pump in the Bacterial Cell Envelope
19. Understanding the Structural and Dynamic Changes that Relieve Inhibition of Impdh upon Horizontal Transfer of a Pathway for Coumarate Catabolism in E. coli
20. Combining Structural Modeling with Sequence-Based Approach to Increase Specificity in Peptide-MHC Binding Predictions
21. A probabilistic perspective on thermodynamic parameter uncertainties: Understanding aqueous speciation of mercury
22. Identification of Binding Sites for Efflux Pump Inhibitors of the AcrAB-TolC Component AcrA
23. The importance of the membrane interface as the reference state for membrane protein stability
24. Ensemble Docking in Drug Discovery
25. Determination of Dynamical Heterogeneity from Dynamic Neutron Scattering of Proteins
26. "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation
27. Pickin’ Up Good Vibrations
28. Structure-based design of broadly protective group a streptococcal M protein-based vaccines
29. Quasielastic neutron scattering in biology: Theory and applications
30. Ensemble-based docking: From hit discovery to metabolism and toxicity predictions
31. Structural Studies of Plant CESA Support Eighteen CESAs in the Plant CSC
32. Lateral organization, bilayer asymmetry, and inter-leaflet coupling of biological membranes
33. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
34. Tri-peptide reference structures for the calculation of relative solvent accessible surface area in protein amino acid residues
35. The Role of Histone Tails in the Nucleosome: A Computational Study
36. L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study
37. Structure and Dynamics of a Compact State of a Multidomain Protein, the Mercuric Ion Reductase
38. Eppur Si Muove! The 2013 Nobel Prize in Chemistry
39. Elastic and Conformational Softness of a Globular Protein
40. Nucleosome Dynamics Studied by Single-Pair FRET and Computer Simulations
41. Dynamics of Nucleosome Tails Studied by All-Atom and Coarse-Grained MD Simulations
42. Coupled Flexibility Change in Cytochrome P450cam Substrate Binding Determined by Neutron Scattering, NMR, and Molecular Dynamics Simulation
43. Alteration of Water Structure by Peptide Clusters Revealed by Neutron Scattering in the Small-Angle Region (below 1 Å−1)
44. Dynamics of Protein and its Hydration Water: Neutron Scattering Studies on Fully Deuterated GFP
45. Reorientation and Dimerization of the Membrane-Bound Antimicrobial Peptide PGLa from Microsecond All-Atom MD Simulations
46. Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers
47. Unwrapping of Nucleosomal DNA Ends: A Multiscale Molecular Dynamics Study
48. Nucleosome Dynamics Studied by Single Pair FRET and Computer Simulations
49. Temperature Dependent Dynamics of Cytochrome P450cam from Elastic Incoherent Neutron Scattering
50. How does Water Boost the Protein Dynamics?
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