26 results on '"Stroet, Martin"'
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2. Self-cyclisation as a general and efficient platform for peptide and protein macrocyclisation
3. On the Validation of Protein Force Fields Based on Structural Criteria
4. PyThinFilm: Automated Molecular Dynamics Simulation Protocols for the Generation of Thin Film Morphologies
5. Facilitating the structural characterisation of non-canonical amino acids in biomolecular NMR
6. Self-cyclisation as a general and efficient platform for peptide and protein macrocyclisation
7. Engineering Transferable Atomic Force Fields: Empirical Optimization of Hydrocarbon Lennard–Jones Interactions by Direct Mapping of Parameter Space
8. PyThinFilm: Automated Molecular Dynamics Simulation Protocols for the Generation of Thin Film Morphologies.
9. Facilitating the structural characterisation of non-canonical amino acids in biomolecular NMR.
10. Understanding the Effect of pH on the Solubility and Aggregation Extent of Humic Acid in Solution by Combining Simulation and the Experiment
11. Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies
12. Facilitating the structural characterisation of non-canonical amino acids in biomolecular NMR.
13. Understanding the Effect of pH on the Solubility and Aggregation Extent of Humic Acid in Solution by Combining Simulation and the Experiment.
14. Curved or linear? Predicting the 3‐dimensional structure of α ‐helical antimicrobial peptides in an amphipathic environment
15. Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane
16. Curved or linear? Predicting the 3‐dimensional structure of α‐helical antimicrobial peptides in an amphipathic environment.
17. Predicting the Prevalence of Alternative Warfarin Tautomers in Solution
18. Optimization of Empirical Force Fields by Parameter Space Mapping: A Single-Step Perturbation Approach
19. The Molecular Origin of Anisotropic Emission in an Organic Light-Emitting Diode
20. Real Cost of Speed: The Effect of a Time-Saving Multiple-Time-Stepping Algorithm on the Accuracy of Molecular Dynamics Simulations
21. Elucidating the Spatial Arrangement of Emitter Molecules in Organic Light‐Emitting Diode Films
22. Validation and Development of the Force Field Parameters for Drug and Drug-Like Molecules
23. Computational modelling of optical tweezers with many degrees of freedom using dynamic simulation: cylinders, nanowires, and multiple particles
24. An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0
25. Improving the accuracy of molecular dynamics simulations: parameterisation of interaction potentials for small molecules
26. Curved or linear? Predicting the 3-dimensional structure of α-helical antimicrobial peptides in an amphipathic environment.
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