(Q39597361)

13 September 2017

Thermal nanostructure: an order parameter multiscale ensemble approach (English)

1 reference

13 September 2017

0 references

S Cheluvaraja

1

1 reference

13 September 2017

P Ortoleva

series ordinal

2

1 reference

13 September 2017

language of work or name

English

0 references

publication date

1 February 2010

1 reference

Journal of Chemical Physics

13 September 2017

1 reference

13 September 2017

132

1 reference

13 September 2017

7

1 reference

13 September 2017

075102

1 reference

Monte Carlo, harmonic approximation, and coarse-graining approaches for enhanced sampling of biomolecular structure

13 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Molecular dynamics/order parameter extrapolation for bionanosystem simulations.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Stochastic dynamics of bionanosystems: Multiscale analysis and specialized ensembles

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

The disassembly, reassembly and stability of CCMV protein capsids.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

A milestoning study of the kinetics of an allosteric transition: atomically detailed simulations of deoxy Scapharca hemoglobin

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Molecular dynamics simulations of the complete satellite tobacco mosaic virus

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Scalable molecular dynamics with NAMD

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

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

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Structures of the native and swollen forms of cowpea chlorotic mottle virus determined by X-ray crystallography and cryo-electron microscopy

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

A Second Look at Canonical Sampling of Biomolecules using Replica Exchange Simulation

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Biomolecular free energy profiles by a shooting/umbrella sampling protocol, "BOLAS"

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Quasi-equivalent viruses: a paradigm for protein assemblies

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Deriving principles of microbiology by multiscaling laws of molecular physics.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Stability and dynamics of virus capsids described by coarse-grained modeling

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Statistical-temperature Monte Carlo and molecular dynamics algorithms.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

All-atom multiscaling and new ensembles for dynamical nanoparticles.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Structural transitions of satellite tobacco mosaic virus particles.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2837723

Replica-exchange molecular dynamics method for protein folding

21 August 2018

1 reference

Equation of State Calculations by Fast Computing Machines

21 January 2018

1 reference

Multiscale coarse graining of liquid-state systems

21 January 2018

1 reference

Regulating Self-Assembly of Spherical Oligomers

21 January 2018

1 reference

Equation-free: The computer-aided analysis of complex multiscale systems

21 January 2018

1 reference

New space warping method for the simulation of large-scale macromolecular conformational changes

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20170252

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A multiscale coarse-graining method for biomolecular systems

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20170252

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1063/1.3316793

1 reference

13 September 2017

1 reference

13 September 2017

PubMed publication ID

20170252

1 reference