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Variational optimization of an all-atom implicit solvent force field to match explicit solvent simulation data
Sandro Bottaro,
Kresten Lindorff-Larsen
, Robert B. Best
Biomolecular Sciences
29
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Alfabetisk
Fysik og astronomi
data simulation
100%
field theory (physics)
89%
peptides
72%
proteins
70%
optimization
57%
solvation
48%
folding
44%
atoms
44%
simulation
33%
exclusion
24%
torsion
21%
screening
19%
methodology
17%
nuclear magnetic resonance
17%
costs
16%
entropy
15%
water
12%
approximation
11%
performance
9%
energy
6%
Teknik og materialevidenskab
Atoms
90%
Peptides
86%
Solvation
70%
Proteins
60%
Protein folding
32%
Nuclear magnetic resonance
26%
Torsional stress
22%
Screening
20%
Entropy
18%
Water
11%
Costs
8%
Kemiske forbindelser
Force
59%
Simulation
55%
Solvent
41%
Peptide
38%
Solvation
37%
Protein
36%
Torsion
22%
NMR Data
21%
Solvent Effect
20%
Dimension
16%
Environment
12%
Energy
10%
Time
7%
Application
6%