Absolute Binding Free Energies: A Quantitative Approach for Their Calculation (Q62589247)

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instance of

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title

Absolute Binding Free Energies: A Quantitative Approach for Their Calculation (English)

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4

Martin Karplus

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author name string

Stefan Boresch

series ordinal

1

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Franz Tettinger

series ordinal

2

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Martin Leitgeb

series ordinal

3

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language of work or name

English

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publication date

September 2003

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number of pages

17

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published in

Journal of Physical Chemistry B

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volume

107

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issue

35

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page(s)

9535-9551

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cites work

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

1 reference

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Effective energy function for proteins in solution

1 reference

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

1 reference

11 October 2022

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Implications of macromolecular crowding for protein assembly.

1 reference

11 October 2022

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Electrostatic and non-electrostatic contributions to the binding free energies of anthracycline antibiotics to DNA.

1 reference

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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

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What determines the strength of noncovalent association of ligands to proteins in aqueous solution?

1 reference

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Thermodynamics of water mediating protein-ligand interactions in cytochrome P450cam: a molecular dynamics study

1 reference

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

1 reference

11 October 2022

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For Guldberg and Waage, with love and cratic entropy

1 reference

11 October 2022

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Free energy simulations come of age: protein-ligand recognition

1 reference

11 October 2022

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Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

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

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Structure at 2.8 A resolution of F1-ATPase from bovine heart mitochondria

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Loss of translational entropy in binding, folding, and catalysis

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Modeling protein-small molecule interactions: structure and thermodynamics of noble gases binding in a cavity in mutant phage T4 lysozyme L99A.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Comment on: 'The entropy cost of protein association'

1 reference

11 October 2022

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1 reference

11 October 2022

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The contribution of vibrational entropy to molecular association. The dimerization of insulin.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Entropy in biological binding processes: estimation of translational entropy loss.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Thermodynamics of amide hydrogen bond formation in polar and apolar solvents

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Canonical dynamics: Equilibrium phase-space distributions

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

The entropy cost of protein association.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Hydration energy landscape of the active site cavity in cytochrome P450cam

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Association entropy in adsorption processes.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Hydrophilicity of cavities in proteins

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Macromolecular crowding: an important but neglected aspect of the intracellular environment

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Coupling of local folding to site-specific binding of proteins to DNA

1 reference

11 October 2022

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The Role of Bonded Energy Terms in Free Energy Simulations - Insights from Analytical Results

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0217839

Calculation of the free energy of association for protein complexes

1 reference

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The statistical-thermodynamic basis for computation of binding affinities: a critical review

1 reference

11 October 2022

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The ATP synthase--a splendid molecular machine

1 reference

11 October 2022

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10.1021/JP0217839

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Absolute Binding Free Energies: A Quantitative Approach for Their Calculation (Q62589247)

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Absolute Binding Free Energies: A Quantitative Approach for Their Calculation (Q62589247)

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