An Introduction to Shake-and-Bake

9/30/97


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Table of Contents

  1. An Introduction to Shake-and-Bake

  2. Outline of Talk

  3. Phasing and Structure Size

  4. The Drug Design Process

  5. X-Ray Crystallography

  6. Photograph of Crystal

  7. A Crystal Structure

  8. The Diffraction Pattern

  9. The Basic Relationship

  10. The Phase Problem

  11. Data Structures

  12. Structure Invariants

  13. Direct Methods

  14. Phase Refinement

  15. Conventional Direct Methods

  16. Conventional Direct Methods and Shake-and-Bake

  17. Movie - 1

  18. Movie - 2

  19. Movie - 3

  20. Movie - 4

  21. Movie - 5

  22. Movie - 6

  23. Movie - 7

  24. Movie - 8

  25. Movie - 9

  26. Movie - 10

  27. Movie - 11

  28. Movie - 12

  29. Movie - 13

  30. Movie - 14

  31. Movie - 15

  32. Movie - 16

  33. Movie - 17

  34. Movie - 18

  35. Movie - 19

  36. Movie - 20

  37. Movie - 21

  38. Movie - 22

  39. Movie - 23

  40. Structure of SnB

  41. SnB Parameters

  42. Ph8755: SnB Histogram

  43. PH8755: Trace of SnB Solution

  44. ToxII: SnB Histogram

  45. Tox II: Trace of SnB Solution

  46. ToxII: Quality of Solution

  47. Some Successful Protein Applications

  48. SnB 2.0: Rationale

  49. Protein Test Data

  50. Parameter Optimization: Peaks

  51. Parameter Optimization: Cycles

  52. Parameter Optimization: Phase Refinement Method

  53. Parameter Optimization: Triplets

  54. The SnB Web Site

  55. SnB v2.0 Interface

  56. VRML Visualization

  57. SnB 2.0: Timings

  58. Computing Platforms

  59. Current Research

  60. Computer Science Projects

  61. Conclusion

  62. Blank Slide

Author: Russ Miller

Email: miller@cs.buffalo.edu

Home Page: http://www.cs.buffalo.edu/pub/WWW/faculty/miller/