BioinformaticsJournal of Chemical Theory and ComputationPeer-reviewed
InterMap: Accelerated Detection of Interaction Fingerprints on Large-Scale Molecular Ensembles
Ernesto Fajardo-Diaz, Emmanuelle Bignon, François Dehez…·Roy González‐Alemán
InterMap accelerates interaction fingerprint detection in large molecular ensembles, achieving significant reductions in runtime and memory usage compared to existing tools.
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