Thema
Journal Article
38
Proteins
20
Research Support, Non-U.S. Gov't
18
Research Support, N.I.H., Extramural
17
Ligands
16
Research Support, U.S. Gov't, Non-P.H.S.
15
Molecular docking
9
Virtual screening
7
CAPRI
5
PL-PatchSurfer
5
Protein–ligand interaction
5
570
4
BACE-1
4
Biology
4
CatS
4
D3R Grand Challenge
4
Decoy discrimination
4
Docking scoring function
4
Energy parameter optimization
4
Hybrid scoring function
4
MEK
4
MM-PBSA
4
Molecular dynamics
4
Natural bioactives
4
Prime MM-GBSA
4
Review
4
protein structure prediction
4
protein-protein interaction
4
3D QSAR
3
ALK-EML4
3
Benzofuran
3
MD simulations
3
NSCLC
3
Polyphenols
3
Tetrahydrofuran
3
computational methods
3
prediction accuracy
3
protein docking prediction
3
structure modeling
3
3D Zernike descriptor
2
EC 3.4.23.-
2
Enzyme Inhibitors
2
Fragment-based drug discovery
2
Hotspot
2
LZerD
2
PPI
2
PPI drug
2
PPI drugs
2
Patch-Surfer
2
Protein-ligand docking
2
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