164 results on '"Koehl, Patrice"'
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2. A General Statistical Physics Framework for Assignment Problems.
3. Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel
4. The geometry of colors in van Gogh’s Sunflowers
5. Sampling constrained stochastic trajectories using Brownian bridges.
6. The Weighted-Volume Derivative of a Space-Filling Diagram
7. Protein Topology and Stability Define the Space of Allowed Sequences
8. Improved Recognition of Native-like Protein Structures Using a Family of Designed Sequences
9. Structure-Based Conformational Preferences of Amino Acids
10. A Physicist's View on Partial 3D Shape Matching.
11. Comparing shapes of genus-zero surfaces
12. Analyzing the Geometry and Dynamics of Viral Structures: A Review of Computational Approaches Based on Alpha Shape Theory, Normal Mode Analysis, and Poisson–Boltzmann Theories.
13. Computing the Gromov-Wasserstein Distance between Two Surface Meshes Using Optimal Transport.
14. Computing the Volume, Surface Area, Mean, and Gaussian Curvatures of Molecules and Their Derivatives.
15. Independent Saturation of Three TrpRS Subsites Generates a Partially Assembled State Similar to Those Observed in Molecular Simulations
16. Adaptive skin meshes coarsening for biomolecular simulation
17. Bootstrapping on Undirected Binary Networks Via Statistical Mechanics
18. Single Adduct Mutagenesis: Strong Effect of the Position of a Single Acetylaminofluorene Adduct within a Mutation Hot Spot
19. Ab initio sampling of transition paths by conditioned Langevin dynamics.
20. Minimum action transition paths connecting minima on an energy surface.
21. The Area Derivative of a Space-Filling Diagram
22. Inverse kinematics in biology: the protein loop closure problem
23. Geometric filtering of pairwise atomic interactions applied to the design of efficient statistical potentials
24. Algorithmic issues in modeling motion
25. AquaSAXS: a web server for computation and fitting of SAXS profiles with non-uniformally hydrated atomic models
26. MinActionPath: maximum likelihood trajectory for large-scale structural transitions in a coarse-grained locally harmonic energy landscape
27. 1H nuclear magnetic resonance determination of the membrane-bound conformation of senktide, a highly selective neurokinin B agonist
28. Structural and dynamic studies of two antigenic loops from haemagglutinin: A relaxation matrix approach
29. MAO: a Multiple Alignment Ontology for nucleic acid and protein sequences
30. Parameterizing elastic network models to capture the dynamics of proteins.
31. The ASTRAL Compendium in 2004
32. Solution structure of PMP-D2, a 35-residue peptide isolated from the insect Locusta migratoria
33. Solution structure of pyoverdin GM-II
34. ASTRAL compendium enhancements
35. A quality metric for homology modeling: the H-factor
36. Sampling the conformation of protein surface residues for flexible protein docking
37. Adapting Poisson-Boltzmann to the self-consistent mean field theory: Application to protein side-chain modeling.
38. AQUASOL: An efficient solver for the dipolar Poisson–Boltzmann–Langevin equation.
39. Computing ion solvation free energies using the dipolar poisson model
40. DCG++: A data-driven metric for geometric pattern recognition.
41. Coarse-grained dynamics of supramolecules: Conformational changes in outer shells of Dengue viruses.
42. Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel.
43. Extracting information from RNA SHAPE data: Kalman filtering approach.
44. Building protein lattice models using self-consistent mean field theory.
45. Calculation of nuclear magnetic resonance order parameters in proteins by normal mode analysis.
46. Eleven quick tips for running an interdisciplinary short course for new graduate students.
47. A weighted string kernel for protein fold recognition.
48. String kernels for protein sequence comparisons: improved fold recognition.
49. On the Importance of the Distance Measures Used to Train and Test Knowledge-Based Potentials for Proteins.
50. Protein side-chain modeling with a protein-dependent optimized rotamer library.
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