144 results on '"Hummer, Gerhard"'
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2. Artificial intelligence for molecular mechanism discovery
3. From integrative atomic-resolution ensembles of disordered proteins to simulations of phase-separated condensates
4. Drying Transition in the Hydrophobic Gate of the GLIC Channel Blocks Ion Conduction
5. Helical region near poly-Q tract in prion-like domain of Arabidopsis ELF3 plays role in temperature-sensing mechanism
6. The coil-coiled domain is determinant for the temperature-dependence of a bacterial voltage-gated sodium channel
7. A structural pathway for class III PI 3-kinase activation by the myristoylated GTP-binding pseudokinase VPS15
8. Optimal bond constraints for molecular dynamics simulations of cholesterol
9. Neighbor list artifacts in molecular dynamics simulations
10. Modeling the moving parts of the cellular machinery
11. The in-cell liquid-like state of the nuclear pore complex permeability barrier
12. High-confidence 3D template matching for cryo-electron tomography
13. Gating Transition of Pentameric Ligand-Gated Ion Channels
14. Extracting Kinetics from Single-Molecule Force Spectroscopy: Nanopore Unzipping of DNA Hairpins
15. Structure and Dynamics of Parallel β-Sheets, Hydrophobic Core, and Loops in Alzheimer’s A β Fibrils
16. Mechanistic Dissection of Sphingolipid Binding to the ER Stress Transducer ATF6 - Insights into the Coordination of Sphingolipid and Protein Production
17. Membrane Perforation by the Pore-Forming Toxin Pneumolysin
18. A Biophysical Basis for Chronic Diseases Associated with ER Stress - Ire1 is Activated by Lipid Bilayer Stress and Perpetuates the Unfolded Protein Response
19. Ion Transport through Membrane-Spanning Nanopores Studied by Molecular Dynamics Simulations and Continuum Electrostatics Calculations
20. Prediction of Charge-Induced Molecular Alignment of Biomolecules Dissolved in Dilute Liquid-Crystalline Phases
21. Diffusion and Electrophoretic Mobility of Single-Stranded RNA from Molecular Dynamics Simulations
22. Kinetics from Nonequilibrium Single-Molecule Pulling Experiments
23. Dealing with Dynamics and Disorder by Combining Simulation and Experiment
24. ESCRT Membrane Scission Revealed by Optical Tweezers
25. Dynamic Histogram Analysis to Determine Free Energies and Rates from Biased Simulations
26. Allosteric Control of the K+ Uptake System KtrAB
27. Diffusion of Proteins and Lipids in Membranes Corrected for Finite-Size Effects
28. Conformational Equilibria of Alkanes in Aqueous Solution: Relationship to Water Structure Near Hydrophobic Solutes
29. Interpreting Phi-Values using Protein Folding Transition Paths
30. Conformational Transition from Catalytic Dwell to ATP-Binding Dwell in F 1 -ATPase
31. A Eukaryotic Sensor for Membrane Lipid Saturation
32. On Artifacts in Single-Molecule Force Spectroscopy
33. Systematic Evaluation of the CS-Rosetta De Novo Structure Prediction Method for Membrane Proteins
34. Autophagy: Solution Structure of the Atg17-Atg29-Atg31-Atg1-Atg13 Complex
35. Assembling the Pieces of Protein Puzzles
36. Multiscale Analysis of Functional Motions in F1-ATPase: From Pi Release to Elasticity and Friction of γ-Subunit Rotation
37. Conformational Transition from Catalytic Dwell to ATP-Binding Dwell in F1-ATPase
38. Heterogeneous Protein-Protein Interaction Systems Modeled using a New Integrator for Single-Particle Reaction Diffusion
39. Water Gated Transitions in Proton Pumping of Respiratory Complex I
40. Exploring an Intermediate State of F1-ATPase by Atomistic Molecular Dynamics Simulation
41. The Topology of Interface Interaction Networks Reflects on Protein-Protein Interaction Specificity and Regulation
42. SAXS/WAXS Intensities and Pair-Distance Distribution Functions from Molecular Dynamics Simulations
43. Water Mediated Membrane Transport: From Channels to Proton Pumps
44. Are Current Molecular Dynamics Force Fields too Helical?
45. Simple and Efficient Calculation of Scattering Intensities of Proteins in Solution from Atomistically Detailed Structures
46. Refining Protein Interaction Networks with Protein Structure and Kinetic Modeling
47. Nonspecific Binding Limits the Number of Proteins in a Cell and Shapes their Interaction Networks
48. Kinetic Models of Enhanced Sampling Methods
49. Proton Pumping and Energy Transduction in Cytochrome C Oxidase
50. Simulations of Multi-protein Complexes: Structure, Binding Affinity, and Dynamics of Vps27/hse1 Bound to Membrane-tethered Ubiquitin
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