113 results on '"solvent accessible surface area"'
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2. Using molecular dynamics simulations to interrogate T cell receptor non-equilibrium kinetics
3. Molecular Study on Conformational Changes in Trypsin Inhibitors in Multidirectional Electrostatic Fields.
4. Molecular Dynamics Study on the Aggregation Behavior of Triton X Micelles with Different PEO Chain Lengths in Aqueous Solution.
5. Molecular Study on Conformational Changes in Trypsin Inhibitors in Multidirectional Electrostatic Fields
6. A Novel Method for Fluid Pour-Point Prediction by Molecular Dynamics Simulations.
7. Introducing Pep McConst—A user‐friendly peptide modeler for biophysical applications.
8. Solvent Accessibility of Residues Undergoing Pathogenic Variations in Humans: From Protein Structures to Protein Sequences
9. Systematized analysis of secondary structure dependence of key structural features of residues in soluble and membrane-bound proteins
10. Protein Modeling
11. Prediction of Protein Oxidation Sites
12. Engineering Tools for Enzymes
13. Mechanistic Insights and Rational Design of a Versatile Surface with Cells/Bacteria Recognition Capability via Orientated Fusion Peptides
14. Thermodynamics of DNA: heat capacity changes on duplex unfolding.
15. Evolution of diffusion and structure of six n-alkanes in carbon dioxide at infinite dilution over wide temperature and pressure ranges: a molecular dynamics study.
16. Single-particle fabric tensors for assemblies of spherical particles.
17. Effect of different counterions on the self-assembly structures and properties of imidazole based ionic liquids surfactant: A molecular dynamics study.
18. Multi-Objective Approach for Protein Structure Prediction
19. Protein Modeling
20. Biophysical Implications
21. Folding of Proteins in Aqueous Environment
22. Resolving the Discrepancies Between Empirical and Rayleigh Charge Limiting Models for Globular Proteins.
23. Selected Microscopic and Mezoscopic Modelling Tools and Models – an Overview
24. Protein Fold Recognition Based Upon the Amino Acid Occurrence
25. Elongation of Water Residence Time at the Protein Interior in Aqueous Solution with Ectoine
26. A Thermodynamic Guide to Affinity Optimization of Drug Candidates
27. A Fast Method for Determination of Solvent-Exposed Atoms and Its Possible Applications for Implicit Solvent Models
28. Detection of Hydrophobic Clusters in Molecular Dynamics Protein Unfolding Simulations Using Association Rules
29. Continuum Solvation Models
30. Revealing Accessibility of Cryptic Protein Binding Sites within the Functional Collagen Fibril.
31. Thermodynamic study for micellization of imidazolium based surface active ionic liquids in water: Effect of alkyl chain length and anions.
32. PAMAM dendrimer: a pH-controlled nanosponge.
33. Influence of protein crowder size on hydration structure and dynamics in macromolecular crowding.
34. Motor Protein Mechanism Coupled with Hydrophobic Hydration/Dehydration Cycle
35. Identification of Protein-Protein Interfaces by Amide Proton Exchange Coupled to MALDI-TOF Mass Spectrometry
36. FreeSASA: An open source C library for solvent accessible surface area calculations [version 1; referees: 2 approved]
37. The Physical Chemistry of Specific Recognition
38. Estimation of binding affinity in structure-based design
39. Incorporation of solvation energy contributions for energy refinement and folding of proteins
40. Parallel algorithms in molecular biology
41. Protein Dynamics : From the Native to the Unfolded State and Back Again
42. Crystallographic Analysis of Peptide Binding by Class I and Class II Major Histocompatibility Antigens
43. Synthesis, anti-fungal activity evaluation and QSAR studies on podophyllotoxin derivatives
44. Characterisation of the hydrophobic collapse of polystyrene in water using free energy techniques.
45. Compaction of chemically defined cell culture media increases its dissolution rate through an increase of solvent accessible surface area.
46. Binding Free Energy and the structural changes determination in hGH protein with different concentrations of copper ions (A molecular dynamics simulation study).
47. Protein reactivity with singlet oxygen: Influence of the solvent exposure of the reactive amino acid residues.
48. Probing protein higher-order structures by native capillary electrophoresis-mass spectrometry.
49. CONFORMATIONAL EFFECTS IN PROTEIN ELECTROSPRAY-IONIZATION MASS SPECTROMETRY.
50. Solvent-accessible surface area: How well can be applied to hot-spot detection?
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