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Empirical potentials and functions for protein folding and binding.
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Europe PubMed Central
PubMed publication ID
9094333
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9094333%20AND%20SRC:MED&resulttype=core&format=json
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2 November 2019
review article
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title
Empirical potentials and functions for protein folding and binding
(English)
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Europe PubMed Central
PubMed publication ID
9094333
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2 November 2019
main subject
protein folding
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author
Sandor Vajda
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1
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PubMed publication ID
9094333
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2 November 2019
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M Sippl
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PubMed publication ID
9094333
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2 November 2019
J Novotny
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PubMed publication ID
9094333
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2 November 2019
publication date
1 April 1997
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2 November 2019
published in
Current Opinion in Structural Biology
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PubMed publication ID
9094333
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2 November 2019
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7
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PubMed publication ID
9094333
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2 November 2019
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2
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PubMed publication ID
9094333
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2 November 2019
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222-228
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2 November 2019
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Simulating the folding of small proteins by use of the local minimum energy and the free solvation energy yields native-like structures.
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Monte Carlo simulations of protein folding. II. Application to protein A, ROP, and crambin
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Calculation of conformational ensembles from potentials of mean force. An approach to the knowledge-based prediction of local structures in globular proteins.
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Helmholtz free energy of peptide hydrogen bonds in proteins
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Structure-derived potentials and protein simulations
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Statistical potentials extracted from protein structures: how accurate are they?
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An iterative method for extracting energy-like quantities from protein structures.
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7 January 2021
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Determination of atomic desolvation energies from the structures of crystallized proteins.
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Evaluation of atomic level mean force potentials via inverse folding and inverse refinement of protein structures: atomic burial position and pairwise non-bonded interactions
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Molecular docking towards drug discovery
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Molecular surface complementarity at protein-protein interfaces: the critical role played by surface normals at well placed, sparse, points in docking
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Low-resolution docking: prediction of complexes for underdetermined structures.
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7 January 2021
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Prediction of protein complexes using empirical free energy functions
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Computational methods to predict binding free energy in ligand-receptor complexes
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7 January 2021
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Calculation of the free energy of association for protein complexes
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7 January 2021
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Solvent accessibility as a predictive tool for the free energy of inhibitor binding to the HIV-1 protease
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7 January 2021
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An approach to rapid estimation of relative binding affinities of enzyme inhibitors: application to peptidomimetic inhibitors of the human immunodeficiency virus type 1 protease
1 reference
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7 January 2021
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A preference-based free-energy parameterization of enzyme-inhibitor binding. Applications to HIV-1-protease inhibitor design
1 reference
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7 January 2021
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The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
1 reference
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7 January 2021
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X-SITE: use of empirically derived atomic packing preferences to identify favourable interaction regions in the binding sites of proteins
1 reference
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7 January 2021
based on heuristic
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Empirical free energy calculations of ligand-protein crystallographic complexes. I. Knowledge-based ligand-protein interaction potentials applied to the prediction of human immunodeficiency virus 1 protease binding affinity.
1 reference
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7 January 2021
based on heuristic
inferred from DOI database lookup
A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site.
1 reference
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7 January 2021
based on heuristic
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Computational method for relative binding energies of enzyme-substrate complexes
1 reference
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7 January 2021
based on heuristic
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A continuum model for protein-protein interactions: application to the docking problem.
1 reference
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7 January 2021
based on heuristic
inferred from DOI database lookup
Atomic solvation parameters in the analysis of protein-protein docking results
1 reference
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7 January 2021
based on heuristic
inferred from DOI database lookup
Comparison of atomic solvation parametric sets: applicability and limitations in protein folding and binding
1 reference
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7 January 2021
based on heuristic
inferred from DOI database lookup
Extracting hydrophobicity parameters from solute partition and protein mutation/unfolding experiments
1 reference
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7 January 2021
based on heuristic
inferred from DOI database lookup
Empirical free energy calculations: a blind test and further improvements to the method.
1 reference
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https://api.crossref.org/works/10.1016%2FS0959-440X%2897%2980029-2
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7 January 2021
based on heuristic
inferred from DOI database lookup
Models of protein folding
1 reference
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7 January 2021
based on heuristic
inferred from DOI database lookup
Prediction of the folding of short polypeptide segments by uniform conformational sampling
1 reference
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7 January 2021
based on heuristic
inferred from DOI database lookup
Identifiers
DOI
10.1016/S0959-440X(97)80029-2
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9094333
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9094333%20AND%20SRC:MED&resulttype=core&format=json
retrieved
2 November 2019
PubMed publication ID
9094333
1 reference
stated in
Europe PubMed Central
PubMed publication ID
9094333
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9094333%20AND%20SRC:MED&resulttype=core&format=json
retrieved
2 November 2019
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