(Q52372238)

30 April 2018

title

Free energy simulations: the meaning of the individual contributions from a component analysis. (English)

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30 April 2018

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30 April 2018

Martin Karplus

series ordinal

object named as

Karplus M

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30 April 2018

Archontis G

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30 April 2018

language of work or name

English

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publication date

1 September 1994

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30 April 2018

published in

Proteins

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30 April 2018

volume

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30 April 2018

issue

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30 April 2018

page(s)

25-33

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30 April 2018

Thermodynamics of protein-peptide interactions in the ribonuclease-S system studied by molecular dynamics and free energy calculations

cites work

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Molecular dynamics simulation of protein denaturation: solvation of the hydrophobic cores and secondary structure of barnase

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

A scanning calorimetric study of the thermal denaturation of the lysozyme of phage T4 and the Arg 96----His mutant form thereof

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Mutant forms of staphylococcal nuclease with altered patterns of guanidine hydrochloride and urea denaturation

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Hidden thermodynamics of mutant proteins: a molecular dynamics analysis

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Genetic and structural analysis of the protein stability problem

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

A new force field for molecular mechanical simulation of nucleic acids and proteins

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Can the stability of protein mutants be predicted by free energy calculations?

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Energetics of charge-charge interactions in proteins.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Simulation analysis of the stability mutant R96H of T4 lysozyme.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

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

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Molecular recognition in proteins. Simulation analysis of substrate binding by a tyrosyl-tRNA synthetase mutant

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Free energy perturbation study on a Trp-binding mutant (Ser88-->Cys) of the trp-repressor.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

The sixth Datta Lecture. Protein folding and stability: the pathway of folding of barnase

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Contribution of the hydrophobic effect to protein stability: analysis based on simulations of the Ile-96----Ala mutation in barnase

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

The limits of simulations

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Relationships between apparent binding energies measured in site-directed mutagenesis experiments and energetics of binding and catalysis

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

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

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.340200105

Identifiers

DOI

10.1002/PROT.340200105

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30 April 2018

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30 April 2018