William Gerecke

ORCID: 0000-0002-9777-6192
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About
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Research Areas
  • RNA and protein synthesis mechanisms
  • Machine Learning in Bioinformatics
  • Protein Structure and Dynamics
  • Signaling Pathways in Disease
  • Distributed and Parallel Computing Systems
  • Distributed systems and fault tolerance
  • Simulation Techniques and Applications
  • Water Quality Monitoring and Analysis

Center for Systems Biology
2022-2024

Harvard University
2022-2024

Abstract AlphaFold2 revolutionized structural biology with the ability to predict protein structures exceptionally high accuracy. Its implementation, however, lacks code and data required train new models. These are necessary (i) tackle tasks, like protein-ligand complex structure prediction, (ii) investigate process by which model learns, remains poorly understood, (iii) assess model’s generalization capacity unseen regions of fold space. Here we report OpenFold, a fast, memory-efficient,...

10.1101/2022.11.20.517210 preprint EN cc-by bioRxiv (Cold Spring Harbor Laboratory) 2022-11-22

AlphaFold2 revolutionized structural biology with the ability to predict protein structures exceptionally high accuracy. Its implementation, however, lacks code and data required train new models. These are necessary (1) tackle tasks, like protein–ligand complex structure prediction, (2) investigate process by which model learns (3) assess model's capacity generalize unseen regions of fold space. Here we report OpenFold, a fast, memory efficient trainable implementation AlphaFold2. We...

10.1038/s41592-024-02272-z article EN cc-by Nature Methods 2024-05-14
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