The performance of radial distribution function based descriptors in the chemoinformatic studies of HIV-1 protease

Jurica Novak,Maria Grishina,Vladimir Potemkin,Johann Gasteiger

The performance of radial distribution function based descriptors in the chemoinformatic studies of HIV-1 protease

2020

Jurica Novak
Maria Grishina
Vladimir Potemkin
Johann Gasteiger

Aim: This letter investigates the role of radial distribution function based descriptors for in silico design of new drugs. Methodology: The multiple linear regression models for HIV-1 protease and...

Keywords:

Protease
Computational biology
Radial distribution function
Biochemistry
Linear regression
HIV-1 protease
Biology
In silico
Quantitative structure–activity relationship

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