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Full ab initio computation of protein-water interaction energies
D. W. Zhang,
J. Z.H. Zhang
Chemistry
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peer-review
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Mathematics
Ab Initio Calculations
100%
Protein
79%
Water
76%
Molecules
74%
Fragment
56%
Interaction
54%
Energy
50%
Cap
45%
Density Functional Theory
27%
Amino Acids
25%
Perturbation Theory
19%
Benchmark
18%
Decompose
12%
Standards
10%
Physics & Astronomy
proteins
60%
fragments
48%
water
43%
molecules
40%
caps
40%
interactions
30%
human immunodeficiency virus
27%
workstations
24%
fractionation
23%
energy
22%
amino acids
21%
macromolecules
19%
chemical properties
19%
perturbation theory
15%
density functional theory
14%
geometry
10%
atoms
9%
Engineering & Materials Science
Molecules
74%
Proteins
69%
Water
41%
Density functional theory
28%
Macromolecules
26%
Fractionation
25%
Amino acids
22%
Chemical properties
21%
Atoms
19%
Geometry
11%
Chemical Compounds
Ab Initio Calculation
49%
Energy
35%
Møller-Plesset Perturbation Theory
25%
Protein
23%
Fractionation
16%
Macromolecule
16%
Density Functional Theory
11%