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mwestphall merged 1 commit into from
Jan 26, 2026
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Create Duke_Singh.yaml #5237

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12 changes: 12 additions & 0 deletions projects/Duke_Singh.yaml
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Department: Biostatistics & Bioinformatics, Cell Biology
Description: 'Understanding the kinetics of drug-target interactions is important
for designing therapeutics with desirable pharmacological profiles. Current experimental
and simulation methods for studying ligand residence time are expensive and low-throughput.
We seek to model ligand residence time for numerous systems using molecular dynamics
simulations and distill this information into a machine learning predictive model
that can be applied to high-throughput screening and optimization. Lab website: https://singhlab.net/.'
FieldOfScience: Computational Biology
FieldOfScienceID: '26.1104'
InstitutionID: https://osg-htc.org/iid/v0pbd5jfz81s
Organization: Duke University
PIName: Rohit Singh