Keyphrases
Molecular Dynamics Simulation
100%
Virtual Screening
66%
Carbonic Anhydrase
63%
Bisphenol A
49%
Molecular Modeling
48%
Molecular Docking
47%
Turkey
44%
Molecular Modeling Studies
40%
In Silico
37%
In Vitro Study
37%
Angiotensin II Type 1 Receptor (AT1R)
37%
HERG
36%
Docking Dynamics
35%
COVID-19
32%
Active Sites
32%
Binding Affinity
32%
Binding Site
32%
G Protein-coupled Receptor
31%
Dopamine D2 Receptor (DRD2)
29%
Biological Activity
29%
Binary QSAR
28%
Modeling Approach
27%
Small Molecules
27%
Binding Pocket
26%
HCA II
26%
Drug Repurposing
25%
HCA I
25%
Acetylcholinesterase and Butyrylcholinesterase
25%
Molecular Mechanics Generalized Born Surface Area (MM-GBSA)
23%
HERG1
23%
In Silico Study
22%
Small Molecule Libraries
22%
Therapeutic Action
22%
Toxic Effects
21%
Acetylcholinesterase
21%
Human Carbonic Anhydrase
21%
Quantitative Structure-activity Relationship
20%
Binding Energy
20%
Molecular Docking Studies
20%
Di-(2-ethylhexyl) Phthalate
20%
Antioxidant Activity
20%
Text Mining
19%
13C NMR
19%
Fullerene
18%
D2 Receptor
18%
Peptide Nanofibers
18%
Docking Score
18%
Amino Acids
18%
Molecular Mechanism
18%
Alzheimer's Disease
18%
Hit Molecules
17%
Acetylcholinesterase Inhibitors (AChEI)
17%
Molecular Simulation
17%
Genetic Algorithm
16%
Docking Studies
16%
Activity Modeling
16%
In Silico Methods
16%
Signaling Pathway
16%
IC50 Value
16%
Synthesized Compounds
15%
Inhibition Mechanism
15%
Carbonic Anhydrase Inhibitors
15%
Phthalate Exposure
15%
Antioxidant Potential
15%
Structure-based Pharmacophore Model
15%
Computational Study
15%
Gliding
15%
Antidiabetic Activity
15%
IC50
14%
Oxidative Stress
14%
Inhibitory Effect
14%
Screening Protocol
14%
Phthalates
14%
Diabetes
14%
Phenolic Profile
14%
Antimicrobial Activity
14%
Pharmacophore Model
14%
Enzyme Inhibitors
13%
Phenolic Compounds
13%
Nanofibers
13%
Phenolic Antioxidants
13%
Kinase Inhibitor
13%
Butyrylcholinesterase (BChE)
13%
Small Databases
13%
Ligand Binding
12%
FDA-approved Drugs
12%
Antibiotics
12%
Anticancer Activity
12%
Homology Modeling
12%
Inhibitory Activity
12%
Hydrazone
12%
Dentistry
12%
EEF2
12%
Astacus Leptodactylus
12%
Comparative Molecular Similarity Indices Analysis (CoMSIA)
12%
Cannabinoid Ligands
12%
PARP Inhibitor (PARPi)
12%
Oxidative Stress Markers
12%
4D-QSAR
11%
Cancer Cells
11%
Pharmacology, Toxicology and Pharmaceutical Science
Quantitative Structure-Activity Relationship
81%
Virtual Screening
70%
Receptor
69%
Carbonate Dehydratase
47%
Acetylcholinesterase
44%
4,4' Isopropylidenediphenol
44%
SARS Coronavirus
32%
Binding Site
28%
IC50
28%
Drug Repositioning
27%
Proteinase
25%
Amino Acid
25%
Isoenzyme
23%
Antioxidant
21%
Breast Cancer
20%
Cytotoxicity
19%
Phthalic Acid Bis(2 Ethylhexyl) Ester
18%
Angiotensin 1 Receptor Antagonist
18%
Antioxidant Capacity
18%
Angiotensin II
18%
Quantitative Structure Activity Relation
17%
Fullerene
17%
HIV
16%
Human Immunodeficiency Virus Proteinase
16%
Potassium Channel
15%
Long QT Syndrome
15%
Carboxamide
15%
Alzheimer's Disease
14%
Indole
14%
Antiinfective Agent
14%
Carbonate Dehydratase I
14%
Antihypertensive Agent
14%
Neoplasm
14%
Cholinesterase Inhibitor
13%
Phthalic Acid
13%
Phosphotransferase Inhibitor
13%
Dopamine Receptor D2
13%
G Protein Coupled Receptor
12%
Cannabinoid
12%
Elongation Factor 2 Kinase
12%
Hypericum
12%
Pharmacokinetics
12%
Diabetes Mellitus
12%
Carbon 13
11%
Carbonate Dehydratase II
11%
Proteinase Inhibitor
11%
Imidazole
10%
Cyclodextrin
10%
Antimicrobial Agent
10%
Endocrine Disruptor
10%
Enzyme Inhibitor
10%
Sulfanilamide
10%
Structure Activity Relationship
10%
Fullerene Derivative
10%
Sulfonamide
9%
Caffeic Acid Phenethyl Ester
9%
Anemia
9%
Dengue Virus
9%
Nicotinamide Adenine Dinucleotide Adenosine Diphosphate Ribosyltransferase 1
9%
Lantibiotic
9%
Carbon Tetrachloride
9%
Off-Label Use
9%
Precocious Puberty
9%
Aroclor 1254
9%
Alloxan
9%
Staphylococcus Aureus
9%
Carbonate Dehydratase Inhibitor
9%
Cannabinoid 1 Receptor
8%
Hepatotoxicity
8%
Losartan
8%
Coumarin
8%
Tumor Necrosis Factor
8%
Clinical Study
8%
Cholinesterase
8%
Cannabinoid 2 Receptor
8%
Cardiotoxicity
7%
Analgesic Agent
7%
Phenol
7%
Wound Healing
7%
Nanofiber
7%
Blood-Brain Barrier
7%
Side Effect
7%
Antidiabetic Agent
7%
Interleukin 10
7%
Piperazine
7%
Flavonoid
7%
Drug Resistance
6%
Thiosemicarbazide
6%
Catenin
6%
Lead Compound
6%
Antiviral Activity
6%
Mutagenesis
6%
Chlorogenic Acid
6%
Cancer Growth
6%
Chalcone
6%
Naringenin
6%
Prostate Cancer
6%
Aminoguanidine
6%
Carcinogen
6%
Propolis
6%