(Q78751409)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12513527%20AND%20SRC:MED&resulttype=core&format=json

16 December 2019

title

Langevin dynamics of proteins at constant pH (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12513527%20AND%20SRC:MED&resulttype=core&format=json

16 December 2019

author name string

Aleksandra M Walczak

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12513527%20AND%20SRC:MED&resulttype=core&format=json

16 December 2019

Jan M Antosiewicz

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12513527%20AND%20SRC:MED&resulttype=core&format=json

16 December 2019

publication date

20 November 2002

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12513527%20AND%20SRC:MED&resulttype=core&format=json

16 December 2019

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12513527%20AND%20SRC:MED&resulttype=core&format=json

16 December 2019

volume

66

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12513527%20AND%20SRC:MED&resulttype=core&format=json

16 December 2019

issue

5 Pt 1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12513527%20AND%20SRC:MED&resulttype=core&format=json

16 December 2019

page(s)

051911

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12513527%20AND%20SRC:MED&resulttype=core&format=json

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

16 December 2019

cites work

1 reference

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21 January 2018

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The determinants of pKas in proteins

21 January 2018

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Self-consistent field approach to protein structure and stability. I: pH dependence of electrostatic contribution

21 January 2018

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Improving the accuracy of protein pKa calculations: conformational averaging versus the average structure.

21 January 2018

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Calculation of protein ionization equilibria with conformational sampling: pK(a) of a model leucine zipper, GCN4 and barnase

21 January 2018

1 reference

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Calculation of the electric potential in the active site cleft due to alpha-helix dipoles

21 January 2018

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pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model

21 January 2018

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Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin

21 January 2018

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Modeling of protein conformational fluctuations in pKa predictions

21 January 2018

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pK(a) calculations along a bacteriorhodopsin molecular dynamics trajectory.

21 January 2018

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Calculations of electrostatic interactions and pKas in the active site of Escherichia coli thioredoxin

21 January 2018

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Effects of temperature and pH on prothrombin fragment 1 conformation as determined by nuclear magnetic resonance

21 January 2018

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Coupling between folding and ionization equilibria: effects of pH on the conformational preferences of polypeptides.

21 January 2018

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Prediction of titration properties of structures of a protein derived from molecular dynamics trajectories

21 January 2018

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Simulating proteins at constant pH: An approach combining molecular dynamics and Monte Carlo simulation.

21 January 2018

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Computation of the dipole moments of proteins

21 January 2018

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

21 January 2018

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

21 January 2018

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The crystal and molecular structure of the third domain of silver pheasant ovomucoid (OMSVP3)

21 January 2018

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Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program

21 January 2018

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Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program

21 January 2018

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Multiple-site titration and molecular modeling: two rapid methods for computing energies and forces for ionizable groups in proteins

21 January 2018

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Effect of single amino acid replacements on the thermodynamics of the reactive site peptide bond hydrolysis in ovomucoid third domain

21 January 2018

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Hydrogen bonds and the pH dependence of ovomucoid third domain stability

21 January 2018

1 reference

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Microsecond protein folding kinetics from native-state hydrogen exchange.

21 January 2018

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Theoretical and experimental analysis of ionization equilibria in ovomucoid third domain.

21 January 2018

1 reference

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PROCHECK: a program to check the stereochemical quality of protein structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.66.051911

Insensitivity of perturbed carboxyl pK(a) values in the ovomucoid third domain to charge replacement at a neighboring residue

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.66.051911

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

21 January 2018

1 reference

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Effective energy function for proteins in solution

21 January 2018

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Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model.

21 January 2018

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Improving pKa calculations with consideration of hydration entropy

21 January 2018

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ICM?A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation

21 January 2018

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10.1103/PHYSREVE.66.051911

21 January 2018

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12513527%20AND%20SRC:MED&resulttype=core&format=json

16 December 2019

0 references

1 reference