(Q46634376)

23 December 2017

title

Study of the insulin dimerization: binding free energy calculations and per-residue free energy decomposition (English)

1 reference

23 December 2017

3

Martin Karplus

1 reference

23 December 2017

2

Markus Meuwly

1 reference

23 December 2017

author name string

Vincent Zoete

series ordinal

1

1 reference

23 December 2017

language of work or name

English

0 references

publication date

1 October 2005

1 reference

23 December 2017

published in

Proteins

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23 December 2017

volume

61

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23 December 2017

issue

1

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23 December 2017

page(s)

79-93

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23 December 2017

The modelling of electrostatic interactions in the function of globular proteins

cites work

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Computational alanine scanning of the 1:1 human growth hormone-receptor complex

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

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

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

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

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Structure of the pig insulin dimer in the cubic crystal

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Contributions to the binding free energy of ligands to avidin and streptavidin.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Solution structure of an engineered insulin monomer at neutral pH

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

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

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

The Protein Data Bank: a computer-based archival file for macromolecular structures

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Novel generalized Born methods

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Semianalytical treatment of solvation for molecular mechanics and dynamics

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Binding of a diverse set of ligands to avidin and streptavidin: an accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Free energy simulations come of age: protein-ligand recognition

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

The role of assembly in insulin's biosynthesis

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

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/10.1002/PROT.20528

Insulin analogues: have they changed insulin treatment and improved glycaemic control?

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Preparation of an insulin with improved pharmacokinetics relative to human insulin through consideration of structural homology with insulin-like growth factor I.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Mechanism of insulin chain combination. Asymmetric roles of A-chain alpha-helices in disulfide pairing

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Electrostatic interactions in the GCN4 leucine zipper: substantial contributions arise from intramolecular interactions enhanced on binding

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

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/10.1002/PROT.20528

Insulin analogs with improved pharmacokinetic profiles

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Chiral mutagenesis of insulin's hidden receptor-binding surface: structure of an allo-isoleucine(A2) analogue

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Mapping the functional surface of insulin by design: structure and function of a novel A-chain analogue

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

The Protein Data Bank

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

The relationship between insulin bioactivity and structure in the NH2-terminal A-chain helix

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Computational methods to predict binding free energy in ligand-receptor complexes

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Monomeric insulins obtained by protein engineering and their medical implications

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

High-resolution structure of an engineered biologically potent insulin monomer, B16 Tyr-->His, as determined by nuclear magnetic resonance spectroscopy

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Mini-proinsulin and mini-IGF-I: homologous protein sequences encoding non-homologous structures

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Altering the association properties of insulin by amino acid replacement

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Structure of an insulin dimer in an orthorhombic crystal: the structure analysis of a human insulin mutant (B9 Ser-->Glu)

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

The structure of 2Zn pig insulin crystals at 1.5 A resolution

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Structure and Stability of the Insulin Dimer Investigated by Molecular Dynamics Simulation

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

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.20528

Flexibility and bioactivity of insulin: an NMR investigation of the solution structure and folding of an unusually flexible human insulin mutant with increased biological activity

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Comparison of simple potential functions for simulating liquid water

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Solution structure of the superactive monomeric des-[Phe(B25)] human insulin mutant: elucidation of the structural basis for the monomerization of des-[Phe(B25)] insulin and the dimerization of native insulin

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Four new monomeric insulins obtained by alanine scanning the dimer-forming surface of the insulin molecule

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Receptor binding redefined by a structural switch in a mutant human insulin

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

The thermodynamics of bovine and porcine insulin and proinsulin association determined by concentration difference spectroscopy.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Energetics of charge-charge interactions in proteins.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Free energy decomposition of protein-protein interactions.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RalGDS complexes.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

A comparison of the dynamic behavior of monomeric and dimeric insulin shows structural rearrangements in the active monomer

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.20528

Identifiers

DOI

10.1002/PROT.20528

1 reference

23 December 2017

PubMed ID

16080143

1 reference

23 December 2017