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Mengyuan Zhu's Projects

amber-reindex icon amber-reindex

tleap changes the residue numbers. It uses the original pdb file to reindex the the processed pdb.

autorr icon autorr

Chemical fragment attach for lead optimization

corermsd icon corermsd

Alignment of molecules share a same fragment and calculate the RMSD

pegasus icon pegasus

A mobile app for fluorescence detection

pk_predict icon pk_predict

Predict small molecules's clearance, half-life, distribution of volume and mean residence time.

ppb icon ppb

Plasma Protein Binding Rate Prediction Software

qvector icon qvector

A linker virtual screening for sensors.

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