Thema
Journal Article
155
Research Support, Non-U.S. Gov't
90
615
30
che
30
A61K: Preparations for medical, dental, or toilet purposes (devices or methods specially adapted for bringing pharmaceutical products into particular physical or administering forms a61j0003000000;chemical aspects of, or use of materials for deodorisation of air, for disinfection or sterilisation, or for bandages, dressings, absorbent pads or surgical articles a61l; soap compositions c11d)
27
Ligands
27
A61P: Specific therapeutic activity of chemical compounds or medicinal preparations
26
MD simulations
26
Molecular docking
25
C07D: Heterocyclic compounds (macromolecular compounds c08)
24
molecular docking
19
Carbonic Anhydrase Inhibitors
17
EC 4.2.1.1
15
Carbonic Anhydrases
13
Acetylcholinesterase
11
Cholinesterase Inhibitors
11
EC 3.1.1.7
11
ERG1 Potassium Channel
11
Molecular dynamics
11
Molecular modeling
11
Small Molecule Libraries
11
virtual screening
11
Ether-A-Go-Go Potassium Channels
10
Fullerenes
9
Isoenzymes
9
Receptors, Dopamine D2
9
SARS-CoV-2
9
570
8
Biology
8
Carbonic Anhydrase I
8
Carbonic Anhydrase II
8
Carbonic anhydrase
8
EC 4.2.1.-
8
Homology modeling
8
Antineoplastic Agents
7
Butyrylcholinesterase
7
Cannabinoids
7
EC 3.1.1.8
7
Enzyme Inhibitors
7
Review
7
Sulfonamides
7
molecular dynamics (MD) simulations
7
540
6
Angiotensin II Type 1 Receptor Blockers
6
Antiviral Agents
6
COVID-19
6
Chemistry
6
Conformational analysis
6
DSC
6
Dopamine D2 receptor
6
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