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Accelerating Cryptic Pocket Discovery Using AlphaFold and Markov State Modeling

Accelerating Cryptic Pocket Discovery Using AlphaFold and Markov State Modeling

Valence Labs via YouTube Direct link

- AF + MSM vs. Metadynamics

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- AF + MSM vs. Metadynamics

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Classroom Contents

Accelerating Cryptic Pocket Discovery Using AlphaFold and Markov State Modeling

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  1. 1 - Intro
  2. 2 - Why Cryptic Pockets?
  3. 3 - System: Plasmepsin II
  4. 4 - AlphaFold Captures Transition States
  5. 5 - AF + MSM vs. Metadynamics
  6. 6 - Capturing Activation Mechanism
  7. 7 - Q+A

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