(Q52018277)

19 April 2018

reason for preferred rank

title

An empirical model for electrostatic interactions in proteins incorporating multiple geometry‐dependent dielectric constants (English)

1 reference

24 December 2023

An empirical model for electrostatic interactions in proteins incorporating multiple geometry-dependent dielectric constants (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A12696048

24 December 2023

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A12696048

24 December 2023

1 reference

24 December 2023

1 reference

24 December 2023

2

0 references

author name string

Michael S. Wisz

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A12696048

24 December 2023

Homme W. Hellinga

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A12696048

24 December 2023

language of work or name

English

0 references

publication date

1 May 2003

1 reference

19 April 2018

15 May 2003

1 reference

National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=12696048

full work available at URL

24 December 2023

https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fprot.10332

1 reference

https://onlinelibrary.wiley.com/doi/pdf/10.1002/prot.10332

24 December 2023

1 reference

24 December 2023

1 reference

19 April 2018

volume

51

1 reference

19 April 2018

issue

3

1 reference

19 April 2018

page(s)

360-377

1 reference

19 April 2018

Calculations of electrostatic interactions in biological systems and in solutions

cites work

1

1 reference

Electrostatic effects in macromolecules: fundamental concepts and practical modeling

24 December 2023

2

1 reference

Roles of electrostatic interaction in proteins.

24 December 2023

3

1 reference

Electrostatic interactions in macromolecules: theory and applications

24 December 2023

4

1 reference

Electrostatic effects in proteins

24 December 2023

5

1 reference

Molecular dynamics simulations of small peptides: dependence on dielectric model and pH.

24 December 2023

6

1 reference

Dependence on the dielectric model and pH in a synthetic helical peptide studied by Monte Carlo simulated annealing

24 December 2023

7

1 reference

Electrostatics significantly affect the stability of designed homeodomain variants

24 December 2023

8

1 reference

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

24 December 2023

11

1 reference

Estimating binding constants for site-specific interactions between monovalent ions and proteins.

24 December 2023

12

1 reference

pH-dependent processes in proteins.

24 December 2023

13

1 reference

The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins

24 December 2023

14

1 reference

Intramolecular dielectric screening in proteins.

24 December 2023

15

1 reference

A theoretical study of the dielectric constant of protein.

24 December 2023

16

1 reference

What about protein polarity?

24 December 2023

17

1 reference

Electrostatic Energy and Macromolecular Function

24 December 2023

18

1 reference

What are the dielectric "constants" of proteins and how to validate electrostatic models?

24 December 2023

20

1 reference

Prediction of pH-dependent properties of proteins

24 December 2023

21

1 reference

Electrostatic calculations of side-chain pK(a) values in myoglobin and comparison with NMR data for histidines

24 December 2023

22

1 reference

On the calculation of pKas in proteins

24 December 2023

23

1 reference

A self-consistent, microenvironment modulated screened coulomb potential approximation to calculate pH-dependent electrostatic effects in proteins

24 December 2023

25

1 reference

A fast and simple method to calculate protonation states in proteins.

24 December 2023

27

1 reference

Calculated pH-dependent population and protonation of carbon-monoxy-myoglobin conformers

24 December 2023

28

1 reference

Semianalytical treatment of solvation for molecular mechanics and dynamics

24 December 2023

30

1 reference

Interpretation of protein titration curves. Application to lysozyme

24 December 2023

34

1 reference

Macroscopic models for studies of electrostatic interactions in proteins: limitations and applicability

24 December 2023

35

1 reference

Extending the Applicability of the Nonlinear Poisson−Boltzmann Equation: Multiple Dielectric Constants and Multivalent Ions†

24 December 2023

36

1 reference

Experimental measurement of the effective dielectric in the hydrophobic core of a protein.

24 December 2023

37

1 reference

Multiple-site titration curves of proteins: an analysis of exact and approximate methods for their calculation

24 December 2023

38

1 reference

Protonation of interacting residues in a protein by a Monte Carlo method: application to lysozyme and the photosynthetic reaction center of Rhodobacter sphaeroides

24 December 2023

39

1 reference

Microscopic pKa values of Escherichia coli thioredoxin.

24 December 2023

40

1 reference

Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation

24 December 2023

41

1 reference

1H-NMR study on the tautomerism of the imidazole ring of histidine residues. I. Microscopic pK values and molar ratios of tautomers in histidine-containing peptides

24 December 2023

43

1 reference

All-atom empirical potential for molecular modeling and dynamics studies of proteins

24 December 2023

45

1 reference

The interpretation of protein structures: Estimation of static accessibility

24 December 2023

46

1 reference

De novo protein design: fully automated sequence selection

24 December 2023

47

1 reference

Environment and exposure to solvent of protein atoms. Lysozyme and insulin

24 December 2023

48

1 reference

Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin

24 December 2023

49

1 reference

On the calculation of electrostatic interactions in proteins.

24 December 2023

50

1 reference

Calculations of electrostatic properties in proteins. Analysis of contributions from induced protein dipoles

24 December 2023

51

1 reference

24 December 2023

Ion-pairs in proteins

52

1 reference

The determinants of pKas in proteins

24 December 2023

53

1 reference

Conformational equilibria in -and -chymotrypsin. The energetics and importance of the salt bridge

24 December 2023

54

1 reference

pH-induced denaturation of proteins: a single salt bridge contributes 3-5 kcal/mol to the free energy of folding of T4 lysozyme

24 December 2023

55

1 reference

Strength and co-operativity of contributions of surface salt bridges to protein stability

24 December 2023

56

1 reference

Effects of engineered salt bridges on the stability of subtilisin BPN'

24 December 2023

57

1 reference

Contributions of engineered surface salt bridges to the stability of T4 lysozyme determined by directed mutagenesis

24 December 2023

58

1 reference

Surface electrostatic interactions contribute little of stability of barnase

24 December 2023

59

1 reference

Hydrogen bonding stabilizes globular proteins

24 December 2023

60

1 reference

On the calculation of pKas in proteins

24 December 2023

62

1 reference

Conformation and hydrogen ion titration of proteins: a continuum electrostatic model with conformational flexibility

24 December 2023

63

1 reference

Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties

24 December 2023

65

1 reference

pKA values of carboxyl groups in the native and denatured states of barnase: the pKA values of the denatured state are on average 0.4 units lower than those of model compounds

24 December 2023

66

1 reference

Generalized dead-end elimination algorithms make large-scale protein side-chain structure prediction tractable: implications for protein design and structural genomics.

24 December 2023

68

1 reference

Measurement of the individual pKa values of acidic residues of hen and turkey lysozymes by two-dimensional 1H NMR.

24 December 2023

69

1 reference

Ionization of the catalytic groups and tyrosyl residues in human lysozyme

24 December 2023

70

1 reference

Individual ionization constants of all the carboxyl groups in ribonuclease HI from Escherichia coli determined by NMR.

24 December 2023

71

1 reference

Role of histidine 124 in the catalytic function of ribonuclease HI from Escherichia coli.

24 December 2023

72

1 reference

Characterization of pKa values and titration shifts in the cytotoxic ribonuclease alpha-sarcin by NMR. Relationship between electrostatic interactions, structure, and catalytic function.

24 December 2023

73

1 reference

pKa measurements from nuclear magnetic resonance for the B1 and B2 immunoglobulin G-binding domains of protein G: comparison with calculated values for nuclear magnetic resonance and X-ray structures.

24 December 2023

74

1 reference

A proton nuclear magnetic resonance investigation of histidyl residues in human normal adult hemoglobin

24 December 2023

75

1 reference

Analysis of electrostatic interactions and their relationship to conformation and stability of bovine pancreatic trypsin inhibitor.

24 December 2023

77

1 reference

Interhelical ion pairing in coiled coils: solution structure of a heterodimeric leucine zipper and determination of pKa values of Glu side chains

24 December 2023

78

1 reference

Measurement and modelling of sequence-specific pKa values of lysine residues in calbindin D9k

24 December 2023

79

1 reference

Complete measurement of the pKa values of the carboxyl and imidazole groups in Bacillus circulans xylanase

24 December 2023

80

1 reference

Dissecting the electrostatic interactions and pH-dependent activity of a family 11 glycosidase

24 December 2023

81

1 reference

Characterization of pH titration shifts for all the nonlabile proton resonances a protein by two-dimensional NMR: the case of mouse epidermal growth factor

24 December 2023

82

1 reference

Relationship between electrostatics and redox function in human thioredoxin: characterization of pH titration shifts using two-dimensional homo- and heteronuclear NMR.

24 December 2023

83

1 reference

Buried, charged, non-ion-paired aspartic acid 76 contributes favorably to the conformational stability of ribonuclease T1

24 December 2023

84

1 reference

Hydrogen ion titration of horse heart ferricytochrome c

24 December 2023

86

1 reference

pKaValues and the pH Dependent Stability of the N-Terminal Domain of L9 as Probes of Electrostatic Interactions in the Denatured State. Differentiation between Local and Nonlocal Interactions†

24 December 2023

87

1 reference

Structural details of Asp(B9) human insulin at low pH from two-dimensional NMR titration studies.

24 December 2023

88

1 reference

Hydrogen bonds and the pH dependence of ovomucoid third domain stability

24 December 2023

89

1 reference

pH, ionic strength, and temperature dependences of ionization equilibria for the carboxyl groups in turkey ovomucoid third domain.

24 December 2023

90

1 reference

1H-n.m.r. study of the solution properties and secondary structure of neurotoxin III from the sea anemone Anemonia sulcata

24 December 2023

91

1 reference

NMR assignments of the four histidines of staphylococcal nuclease in native and denatured states

24 December 2023

92

1 reference

High apparent dielectric constants in the interior of a protein reflect water penetration

24 December 2023

93

1 reference

Amide proton titration shifts in bull seminal inhibitor IIA by two-dimensional correlated 1H nuclear magnetic resonance (COSY). Manifestation of conformational equilibria involving carboxylate groups

24 December 2023

94

1 reference

Stabilization of a fibronectin type III domain by the removal of unfavorable electrostatic interactions on the protein surface

24 December 2023

95

1 reference

Histidine pKa shifts accompanying the inactivating Asp121----Asn substitution in a semisynthetic bovine pancreatic ribonuclease

24 December 2023

96

1 reference

Use of 1H NMR spectroscopy and computer simulations To analyze histidine pKa changes in a protein tyrosine phosphatase: experimental and theoretical determination of electrostatic properties in a small protein.

24 December 2023

98

1 reference

Perturbation of Trp 138 in T4 lysozyme by mutations at Gln 105 used to correlate changes in structure, stability, solvation, and spectroscopic properties

24 December 2023

99

1 reference

Structural and thermodynamic consequences of burying a charged residue within the hydrophobic core of T4 lysozyme

24 December 2023

100

1 reference

Acid denaturation steps of Streptomyces subtilisin inhibitor. A proton magnetic resonance study of individual histidine environment

24 December 2023

101

1 reference

Preferential Heterodimeric Parallel Coiled-coil Formation by Synthetic Max and c-Myc Leucine Zippers: A Description of Putative Electrostatic Interactions Responsible for the Specificity of Heterodimerization

24 December 2023

102

1 reference

Conformation of erabutoxins a and b in aqueous solution as studied by nuclear magnetic resonance and circular dichroism

24 December 2023

103

1 reference

Electrostatic effects on modification of charged groups in the active site cleft of subtilisin by protein engineering

24 December 2023

104

1 reference

24 December 2023

Identifiers

DOI

10.1002/PROT.10332

1 reference

19 April 2018

1 reference

19 April 2018