Thema
Journal Article
15
Research Support, Non-U.S. Gov't
12
Ligands
6
QSAR
5
Chemical descriptors
4
MERA
4
Machine learning
4
Nonparametric descriptors
4
Scoring function
4
3CLpro
3
3D and 4D QSAR
3
Antipharmacophore
3
Covalent bond order
3
Desirability function
3
EC 3.4.23.-
3
Electron density
3
Enantioconformers
3
Free-orbital approach
3
HIV Protease
3
HIV Protease Inhibitors
3
Multiconformational analysis
3
Pattern recognition
3
Pharmacophore
3
RDF
3
Superimposition
3
Topological analysis of electron density
3
X-ray
3
X-ray crystallography
3
complementarity
3
electron density
3
inhibitors
3
molecular dynamics
3
p16 protease, Human immunodeficiency virus 1
3
AlteQ method
2
Antiviral Agents
2
COVID-19
2
ChemoSophia
2
EGFR
2
HIV protease
2
HIV-1 protease
2
Pharmaceutical Preparations
2
Proteins
2
SARS-CoV-2
2
drug design
2
futalosine
2
natural product atlas
2
radial distribution function
2
7YNJ3PO35Z
1
Acetyltransferases
1
AlteQ
1
mehr ...