Comparison of database potentials and molecular mechanics force fields (Q41420412)

30 September 2017

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title

Comparison of database potentials and molecular mechanics force fields (English)

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30 September 2017

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Moult J

1

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30 September 2017

1 April 1997

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Current Opinion in Structural Biology

30 September 2017

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30 September 2017

7

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30 September 2017

2

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30 September 2017

194-199

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Stability of proteins: small globular proteins

30 September 2017

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Contribution of hydration to protein folding thermodynamics. II. The entropy and Gibbs energy of hydration

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Protein folding--what's the question?

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Potential energy functions.

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Structure and energetics of ligand binding to proteins: Escherichia coli dihydrofolate reductase-trimethoprim, a drug-receptor system.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

A comparison of the CHARMM, AMBER and ECEPP potentials for peptides. II. Phi-psi maps for N-acetyl alanine N'-methyl amide: comparisons, contrasts and simple experimental tests

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Molecular dynamics simulations of the unfolding of apomyoglobin in water

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Accurate modeling of the intramolecular electrostatic energy of proteins

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

An Efficient Mean Solvation Force Model for Use in Molecular Dynamics Simulations of Proteins in Aqueous Solution

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Structure, dynamics and energetics of initiation sites in protein folding: I. Analysis of a 1 ns molecular dynamics trajectory of an early folding unit in water: the helix I/loop I-fragment of barnase

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

On achieving better than 1-A accuracy in a simulation of a large protein: Streptomyces griseus protease A

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Structure and internal dynamics of the bovine pancreatic trypsin inhibitor in aqueous solution from long-time molecular dynamics simulations.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

The application of different solvation and electrostatic models in molecular dynamics simulations of ubiquitin: how well is the X-ray structure "maintained"?

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Molecular dynamics simulation of cytochrome b5: implications for protein-protein recognition

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Fluctuation and Cross-correlation Analysis of Protein Motions Observed in Nanosecond Molecular Dynamics Simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Comparison of MD simulations and NMR experiments for hen lysozyme. Analysis of local fluctuations, cooperative motions, and global changes

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

An analysis of incorrectly folded protein models. Implications for structure predictions.

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Criteria that discriminate between native proteins and incorrectly folded models

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Discriminating compact nonnative structures from the native structure of globular proteins

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Free energy determinants of secondary structure formation: I. alpha-Helices

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Free energy determinants of secondary structure formation: II. Antiparallel beta-sheets

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Free energy determinants of secondary structure formation: III. beta-turns and their role in protein folding

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Structure-derived potentials and protein simulations

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Residue-residue potentials with a favorable contact pair term and an unfavorable high packing density term, for simulation and threading.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Inter-residue potentials in globular proteins and the dominance of highly specific hydrophilic interactions at close separation

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Potential energy functions for threading

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Protein structure prediction by threading methods: evaluation of current techniques

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Recognition of errors in three-dimensional structures of proteins

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Assessment of protein models with three-dimensional profiles

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Helmholtz free energies of atom pair interactions in proteins

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Statistical potentials extracted from protein structures: how accurate are they?

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Theory for protein mutability and biogenesis

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

Evaluation of threading specificity and accuracy

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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980025-5

7 January 2021

10.1016/S0959-440X(97)80025-5

Identifiers

DOI

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30 September 2017

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PubMed ID

9094335