(Q30157288)

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Building a foundation for structure-based cellulosome design for cellulosic ethanol: Insight into cohesin-dockerin complexation from computer simulation

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

Building a foundation for structure-based cellulosome design for cellulosic ethanol: Insight into cohesin-dockerin complexation from computer simulation (English)

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

computer simulation

0 references

3

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

author name string

Jiancong Xu

1

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

Michael F Crowley

2

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

publication date

1 May 2009

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

Protein Science

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

18

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

5

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

949-959

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

The potential of cellulases and cellulosomes for cellulosic waste management

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Evidence for a dual binding mode of dockerin modules to cohesins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Biomass recalcitrance: engineering plants and enzymes for biofuels production

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Probing a model of a GPCR/ligand complex in an explicit membrane environment: the human cholecystokinin-1 receptor.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Scalable molecular dynamics with NAMD

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

GROMACS: fast, flexible, and free

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Calculation of absolute protein-ligand binding free energy from computer simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Cellulosome assembly revealed by the crystal structure of the cohesin-dockerin complex

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Cellulosomes from mesophilic bacteria

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

On the calculation of absolute macromolecular binding free energies

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Analysis of a 10-ns molecular dynamics simulation of mouse acetylcholinesterase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Solution structure of a type I dockerin domain, a novel prokaryotic, extracellular calcium-binding domain

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Crystal structure of a cohesin module from Clostridium cellulolyticum: implications for dockerin recognition

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Cellulosomes-structure and ultrastructure.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Involvement of both dockerin subdomains in assembly of the Clostridium thermocellum cellulosome.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

The crystal structure of a type I cohesin domain at 1.7 A resolution

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

A cohesin domain from Clostridium thermocellum: the crystal structure provides new insights into cellulosome assembly

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

VMD: visual molecular dynamics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Organization and distribution of the cellulosome in Clostridium thermocellum

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

The role of the alpha-helix dipole in protein function and structure

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Stabilization of protein structure by interaction of alpha-helix dipole with a charged side chain

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Calcium-binding affinity and calcium-enhanced activity of Clostridium thermocellum endoglucanase D.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

Collective motions in proteins: A covariance analysis of atomic fluctuations in molecular dynamics and normal mode simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

3 June 2018

The alpha helix dipole: screened out?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

26 November 2018

Cohesin-dockerin interaction in cellulosome assembly: a single Asp-to-Asn mutation disrupts high-affinity cohesin-dockerin binding.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

26 November 2018

Overcoming free energy barriers using unconstrained molecular dynamics simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

26 November 2018

Assessing the efficiency of free energy calculation methods

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

26 November 2018

Binding free energy differences in a TCR-peptide-MHC complex induced by a peptide mutation: a simulation analysis.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

26 November 2018

Duplicated dockerin subdomains of Clostridium thermocellum endoglucanase CelD bind to a cohesin domain of the scaffolding protein CipA with distinct thermodynamic parameters and a negative cooperativity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

26 November 2018

Effect of solvent on collective motions in globular protein.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2771297

26 November 2018

Structural basis of cellulosome efficiency explored by small angle X-ray scattering

1 reference

https://pubmed.ncbi.nlm.nih.gov/19384997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Species-specificity of the cohesin-dockerin interaction between Clostridium thermocellum and Clostridium cellulolyticum: prediction of specificity determinants of the dockerin domain

1 reference

https://pubmed.ncbi.nlm.nih.gov/19384997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Cohesin-dockerin recognition in cellulosome assembly: experiment versus hypothesis

1 reference

https://pubmed.ncbi.nlm.nih.gov/19384997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Secondary structure and calcium-induced folding of the Clostridium thermocellum dockerin domain determined by NMR spectroscopy

1 reference

https://pubmed.ncbi.nlm.nih.gov/19384997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Incorporating the effect of ionic strength in free energy calculations using explicit ions

1 reference

https://pubmed.ncbi.nlm.nih.gov/19384997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Mapping by Site-Directed Mutagenesis of the Region Responsible for Cohesin−Dockerin Interaction on the Surface of the Seventh Cohesin Domain ofClostridium thermocellumCipA†

1 reference

https://pubmed.ncbi.nlm.nih.gov/19384997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1002/PRO.105

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

ResearchGate publication ID

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