(Q42593384)

3 November 2017

Relative stability of the open and closed conformations of the active site loop of streptavidin (English)

1 reference

3 November 2017

Ignacio J General

1

1 reference

3 November 2017

Hagai Meirovitch

series ordinal

2

1 reference

3 November 2017

language of work or name

English

0 references

publication date

1 January 2011

1 reference

Journal of Chemical Physics

3 November 2017

1 reference

3 November 2017

134

1 reference

3 November 2017

2

1 reference

3 November 2017

025104

1 reference

Entropy and Free Energy of a Mobile Loop Based on the Crystal Structures of the Free and Bound Proteins

3 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Absolute binding free energy calculations: on the accuracy of computational scoring of protein-ligand interactions

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

A comprehensive examination of the contributions to the binding entropy of protein-ligand complexes

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Theory of free energy and entropy in noncovalent binding

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Absolute free energy and entropy of a mobile loop of the enzyme acetylcholinesterase

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Dynamics of the streptavidin-biotin complex in solution and in its crystal lattice: distinct behavior revealed by molecular simulations

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Entropy and free energy of a mobile protein loop in explicit water

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Minimalist explicit solvation models for surface loops in proteins

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Recent developments in methodologies for calculating the entropy and free energy of biological systems by computer simulation

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Towards predictive ligand design with free-energy based computational methods?

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Calculation of the entropy and free energy from monte carlo simulations of a peptide stretched by an external force

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Calculation of the entropy and free energy of peptides by molecular dynamics simulations using the hypothetical scanning molecular dynamics method

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

oGNM: online computation of structural dynamics using the Gaussian Network Model

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Free volume hypothetical scanning molecular dynamics method for the absolute free energy of liquids

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Biomolecular modeling: Goals, problems, perspectives

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Calculation of the entropy of random coil polymers with the hypothetical scanning Monte Carlo method

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Calculation of the entropy and free energy by the hypothetical scanning Monte Carlo method: application to peptides

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Lower and upper bounds for the absolute free energy by the hypothetical scanning Monte Carlo method: application to liquid argon and water.

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Thermodynamic and structural consequences of flexible loop deletion by circular permutation in the streptavidin-biotin system

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Structural studies of the streptavidin binding loop

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

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

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Crystal structure of core streptavidin determined from multiwavelength anomalous diffraction of synchrotron radiation

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Structural origins of high-affinity biotin binding to streptavidin

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Free energy via molecular simulation: applications to chemical and biomolecular systems

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Biotin-binding proteins: overview and prospects

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Structural evidence for induced fit as a mechanism for antibody-antigen recognition

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Crystal structure and ligand-binding studies of a screened peptide complexed with streptavidin

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Dynamics of folded proteins

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

28 May 2018

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

28 May 2018

Evaluating the Accuracy of the Quasiharmonic Approximation

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Modeling loop reorganization free energies of acetylcholinesterase: a comparison of explicit and implicit solvent models.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

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

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Backbone and side chain dynamics of uncomplexed human adipocyte and muscle fatty acid-binding proteins

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3036560

Studies in Molecular Dynamics. I. General Method

16 August 2018

1 reference

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

21 January 2018

1 reference

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

The properties of streptavidin, a biotin-binding protein produced by Streptomycetes

21 January 2018

1 reference

Multiple conformational states of proteins: a molecular dynamics analysis of myoglobin

21 January 2018

1 reference

12 December 2020

Packing structures and transitions in liquids and solids

1 reference

12 December 2020

Stability of the Free and Bound Microstates of a Mobile Loop of α-Amylase Obtained from the Absolute Entropy and Free Energy

1 reference

12 December 2020

Mechanisms of antibody binding to a protein

1 reference

12 December 2020

Computer simulation of the free energy of polymer chains with excluded volume and with finite interactions

1 reference

12 December 2020

Identifiers

DOI

10.1063/1.3521267

1 reference

3 November 2017

1 reference

3 November 2017

PubMed publication ID

21241152

1 reference