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Tunable coarse graining for Monte Carlo simulations of proteins via smoothed energy tables: Direct and exchange simulations
Justin Spiriti,
Daniel M. Zuckerman
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Contribution to journal
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Article
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peer-review
6
Scopus citations
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Dive into the research topics of 'Tunable coarse graining for Monte Carlo simulations of proteins via smoothed energy tables: Direct and exchange simulations'. Together they form a unique fingerprint.
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Chemical Compounds
Monte Carlo Method
98%
Sampling
77%
Simulation
58%
Energy
43%
Protein
38%
Protein Secondary Structure
30%
Amount
29%
Time
25%
Potential Energy
23%
Secondary Structure
20%
Polypeptide
19%
Benzene
16%
Force
15%
Peptide
13%
Molecule
8%
Physics & Astronomy
smoothing
100%
proteins
74%
sampling
44%
simulation
35%
fragments
33%
energy
27%
tabulation processes
24%
interactions
21%
polypeptides
16%
peptides
14%
replicas
14%
folding
13%
field theory (physics)
13%
beads
13%
benzene
13%
potential energy
11%
fluids
7%
molecules
7%
Engineering & Materials Science
Proteins
85%
Sampling
65%
Polypeptides
37%
Peptides
30%
Benzene
28%
Potential energy
25%
Molecules
22%
Fluids
14%