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Search results for fragment protein

6 search results found

Hotspots ⭐ 27

A knowledge-based method for determining small molecule binding "hotspots".

Frag_pele ⭐ 22

FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand conformational space

Deepfraglib ⭐ 16

Rosettadesign ⭐ 15

RosettaDesign using PyRosetta

Command line tool to generate Kripo fingerprints from Protein Data Bank files.

Library to interact with Kripo fragment, fingerprint and similarity data files.

Denovoprediction ⭐ 5

De Novo Protein Tertiary Structure Prediction Pipeline

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1-6 of 6 search results

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