Physics & Astronomy
free energy
61%
ligands
58%
predictions
40%
affinity
36%
scoring
22%
screening
21%
adenosine triphosphate
20%
drugs
16%
ranking
11%
energy methods
10%
statistical mechanics
8%
proteins
6%
shock
6%
heat
5%
optimization
5%
water
4%
molecules
4%
Engineering & Materials Science
Ligands
100%
Free energy
89%
Binding sites
30%
Screening
30%
Binders
29%
Statistical mechanics
15%
Molecules
10%
Lead
9%
Proteins
9%
Water
5%
Hot Temperature
5%
Chemistry
Gibbs Free Energy
56%
Binding Agent
33%
Drug Target
28%
Kd
28%
Binding Site
17%
Statistical Mechanics
17%
Error
9%
Heat
9%
Protein
5%
Molecule
4%
Medicine & Life Sciences
Ligands
53%
Datasets
25%
Adenosine Triphosphate
16%
Binding Sites
16%
HSP90 Heat-Shock Proteins
14%
Molecular Chaperones
13%
Polytetrafluoroethylene
12%
Mechanics
11%
Lead
9%
Pharmaceutical Preparations
8%
Research Design
8%
Water
7%