Designing Drugs by Shaking and Baking Atoms

9/22/97


Click here to start


Individual slides listed below

  1. Title

  2. Outline of Talk

  3. The Drug Design Process

  4. X-Ray Crystallography

  5. Photograph of Crystal

  6. A Crystal Structure

  7. Diffractometer

  8. The Diffraction Pattern

  9. X-Ray Data & Molecular Structure

  10. The Phase Problem

  11. Data Structures

  12. Structure Invariants

  13. Direct Methods

  14. Conventional Direct Methods

  15. Comparing Conventional Direct Methods with Shake-and-Bake

  16. Shake-and-Bake

  17. Phasing and Structure Size

  18. Animation - 1

  19. Animation - 2

  20. Animation - 3

  21. Animation - 4

  22. Animation - 5

  23. Animation - 6

  24. Animation - 7

  25. Animation - 8

  26. Animation - 9

  27. Animation - 10

  28. Animation - 11

  29. Animation - 12

  30. Animation - 13

  31. Animation - 14

  32. Animation - 15

  33. Animation - 16

  34. Animation - 17

  35. Animation - 18

  36. Animation - 19

  37. Animation - 20

  38. Animation - 21

  39. Animation - 22

  40. Animation - 23

  41. Animation - 24

  42. Animation - 25

  43. Animation - 26

  44. Animation - 27

  45. Animation - 28

  46. Animation - 29

  47. Animation - 30

  48. Animation - 31

  49. Movie - 1

  50. Movie - 2

  51. Movie - 3

  52. Movie - 4

  53. Movie - 5

  54. Movie - 6

  55. Movie - 7

  56. Movie - 8

  57. Movie - 9

  58. Movie - 10

  59. Movie - 11

  60. Movie - 12

  61. Movie - 13

  62. Movie - 14

  63. Movie - 15

  64. Movie - 16

  65. Movie - 17

  66. Movie - 18

  67. Movie - 19

  68. Movie - 20

  69. Movie - 21

  70. Movie - 22

  71. Movie - 23

  72. Structure of SnB

  73. SnB Parameters

  74. Ph8755: SnB Histogram

  75. PH8755: Trace of SnB Solution

  76. ToxII: SnB Histogram

  77. Tox II: Trace of SnB Solution

  78. ToxII: Quality of Solution

  79. Some Successful Protein Applications

  80. Vancomycin

  81. Vancomycin Crystal

  82. Vancomycin Crystal Structure Views

  83. Se-Met Problems

  84. Se-Met Example

  85. SnB 2.0: Rationale

  86. SnB v2.0 Interface

  87. SnB 2.0: Timings

  88. Computing Platforms

  89. Current Research

  90. Conclusion

  91. Web Site

  92. PPT Slide

Author: Russ Miller

Email: miller@cs.buffalo.edu

Home Page: http://www.cs.buffalo.edu/