(Q30909689)

27 June 2017

Constant-pH molecular dynamics study of protonation-structure relationship in a heptapeptide derived from ovomucoid third domain (English)

1 reference

molecular dynamics simulation

27 June 2017

0 references

author name string

Maciej Długosz

series ordinal

1

1 reference

27 June 2017

Jan M Antosiewicz

series ordinal

2

1 reference

27 June 2017

Andrew D Robertson

series ordinal

3

1 reference

27 June 2017

language of work or name

English

0 references

publication date

27 February 2004

1 reference

27 June 2017

1 reference

27 June 2017

69

1 reference

27 June 2017

2 Pt 1

1 reference

27 June 2017

021915

1 reference

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

27 June 2017

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

Computation of the dipole moments of proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

Modeling of protein conformational fluctuations in pKa predictions

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

Langevin dynamics of proteins at constant pH

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

Interpretation of protein titration curves. Application to lysozyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.69.021915

10.1103/PHYSREVE.69.021915

21 January 2018

Identifiers

DOI

1 reference

27 June 2017

0 references

1 reference