Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins (Q56776034)

From Wikidata

Jump to navigation Jump to search

article

Language	Label	Description	Also known as
English	Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins	article

Statements

scholarly article

0 references

Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins (English)

0 references

Michael R. Shirts

1

object named as

Michael R. Shirts

0 references

4

object named as

Vijay S. Pande

0 references

author name string

Jed W. Pitera

2

0 references

William C. Swope

3

0 references

language of work or name

0 references

publication date

15 September 2003

0 references

Journal of Chemical Physics

0 references

119

0 references

11

0 references

5740-5761

0 references

Determination of the differential effects of hydrogen bonding and water release on the binding of FK506 to native and Tyr82-->Phe82 FKBP-12 proteins using free energy simulations.

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Modern protein force fields behave comparably in molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Molecular dynamics simulations of biomolecules

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

The nature of the accessible and buried surfaces in proteins

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Comparing the polarities of the amino acids: side-chain distribution coefficients between the vapor phase, cyclohexane, 1-octanol, and neutral aqueous solution

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Calculation of the free energy of solvation for neutral analogs of amino acid side chains

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

COMPUTING: Screen Savers of the World Unite!

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Absolute comparison of simulated and experimental protein-folding dynamics

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Native-like mean structure in the unfolded ensemble of small proteins

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Thoroughly sampling sequence space: large-scale protein design of structural ensembles

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Molecular dynamics simulations at constant pressure and/or temperature

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Comparison of simple potential functions for simulating liquid water

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Decomposition of the Free Energy of a System in Terms of Specific Interactions

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Generalized-ensemble algorithms for molecular simulations of biopolymers

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Computational Alchemy To Calculate Absolute Protein−Ligand Binding Free Energy

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Affinities of amino acid side chains for solvent water

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Structure and dynamics of liquid water with different long-range interaction truncation and temperature control methods in molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Multidimensional replica-exchange method for free-energy calculations

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Determination of equilibrium properties of biomolecular systems using multidimensional adaptive umbrella sampling

1 reference

https://api.crossref.org/works/10.1063%2F1.1587119

21 January 2018

Identifiers

10.1063/1.1587119

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q56776034&oldid=1987074350"