45 results on '"Stock, Gerhard"'
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2. Toward a Benchmark for Markov State Models: The Folding of HP35.
3. Selecting Features for Markov Modeling: A Case Study on HP35.
4. Energy Transport and Its Function in Heptahelical Transmembrane Proteins.
5. Nonequilibrium Modeling of the Elementary Step in PDZ3 Allosteric Communication.
6. Correlation-Based Feature Selection to Identify Functional Dynamics in Proteins.
7. Energy Transport and Its Function in Heptahelical Transmembrane Proteins
8. Molecular Origin of Driving-Dependent Friction in Fluids.
9. Data-Driven Langevin Modeling of Nonequilibrium Processes
10. MSMPathfinder: Identification of Pathways in Markov State Models.
11. 2D-IR Spectroscopy of an AHA Labeled Photoswitchable PDZ2 Domain
12. Energy Transport Pathways in Proteins: A Non-equilibrium Molecular Dynamics Simulation Study.
13. MSMPathfinder: Identification of Pathways in Markov State Models
14. Energy Transport Pathways in Proteins: A Non-equilibrium Molecular Dynamics Simulation Study
15. Photocontrolling Protein–Peptide Interactions: From Minimal Perturbation to Complete Unbinding.
16. Azidohomoalanine: A Minimally Invasive, Versatile, and Sensitive Infrared Label in Proteins To Study Ligand Binding.
17. Metadynamics Enhanced Markov Modeling of Protein Dynamics.
18. 2D-IR Spectroscopy of an AHA Labeled Photoswitchable PDZ2 Domain.
19. Photocontrolling Protein–Peptide Interactions: From Minimal Perturbation to Complete Unbinding
20. Targeted Molecular Dynamics Calculations of Free Energy Profiles Using a Nonequilibrium Friction Correction
21. Azidohomoalanine: A Minimally Invasive, Versatile, and Sensitive Infrared Label in Proteins To Study Ligand Binding
22. MELD-Path Efficiently Computes Conformational Transitions, Including Multiple and Diverse Paths
23. Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 Lysozyme
24. Investigation of Rare Protein Conformational Transitions via Dissipation-Corrected Targeted Molecular Dynamics
25. Selecting Features for Markov Modeling: A Case Study on HP35
26. Long-RangeConformational Transition of a PhotoswitchableAllosteric Protein: Molecular Dynamics Simulation Study.
27. Robust Density-Based Clustering To Identify Metastable Conformational States of Proteins
28. Long-Range Conformational Response of a PDZ Domain to Ligand Binding and Release: A Molecular Dynamics Study
29. Inferring Transition Rates of Networks from Populations in Continuous-Time Markov Processes
30. HierarchicalFolding Free Energy Landscape of HP35Revealed by Most Probable Path Clustering.
31. Hierarchical Biomolecular Dynamics: Picosecond Hydrogen Bonding Regulates Microsecond Conformational Transitions
32. Combining Single-Molecule Fluorescence and MD-Simulations to Delineate the Kinetics and Regulation of Proteins
33. Molecular Origin of Driving-Dependent Friction in Fluids
34. Correlation-Based Feature Selection to Identify Functional Dynamics in Proteins
35. Identifying Metastable States of Folding Proteins
36. Construction of the Free Energy Landscape of Peptide Aggregation from Molecular Dynamics Simulations
37. Influence of Nitroxide Spin Labels on RNA Structure: A Molecular Dynamics Simulation Study
38. Classical Calculation of Transient Absorption Spectra Monitoring Ultrafast Electron Transfer Processes
39. What NMR Relaxation Can Tell Us about the Internal Motion of an RNA Hairpin: A Molecular Dynamics Simulation Study
40. Photoinduced Conformational Dynamics of a Photoswitchable Peptide: A Nonequilibrium Molecular Dynamics Simulation Study
41. Conformational Dynamics of RNA-Peptide Binding: A Molecular Dynamics Simulation Study
42. Theoretische Chemie 2004
43. Efficient calculation of femtosecond time-resolved photoelectron spectra: method and application to the ionization of pyrazine
44. Prediction of Absolute Binding and Unbinding Kinetics on Timescales of a Minute from Sub-Microsecond MD Simulations
45. Notizen
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