Thema
Journal Article
67
Research Support, Non-U.S. Gov't
32
Ligands
24
Research Support, N.I.H., Extramural
13
Review
12
Small Molecule Libraries
7
Virtual screening
7
Drug discovery
6
Enzyme Inhibitors
6
Receptors, Cell Surface
6
Antiviral Agents
5
Proteins
5
Quantum mechanics
5
540
4
Affinity map
4
Chemistry
4
Dynamics
4
Enrichment
4
Ligand-free pharmacophore
4
Pharmaceutical Preparations
4
Receptors, G-Protein-Coupled
4
Research Support, U.S. Gov't, Non-P.H.S.
4
molecular docking
4
059QF0KO0R
3
BRCA1
3
End-point binding free energy methods
3
MM-QMSA (MM/QM-COSMO)
3
Molecular dynamics
3
Peptides
3
Receptor, Cannabinoid, CB2
3
Semiempirical Hamiltonian
3
Structure-based drug design
3
Water
3
quantum mechanics
3
17885-08-4
2
9009-81-8
2
Antineoplastic Agents
2
Arzneimittelforschung
2
Bacterial Proteins
2
Computer-aided drug discovery
2
Drug Discovery
2
EC 2.7.-
2
EC 2.7.10.1
2
EC 2.7.11.1
2
EC 3.1.1.4
2
ErbB Receptors
2
Glucose
2
IY9XDZ35W2
2
Models, Molecular
2
Molecular docking
2
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