(A,B,C) showing parameters used in molecular dynamic simulations in RDEB-I, RDEB-S and DDEB subtypes respectively.

Values of the model parameters used to fit the molecular permeability and the TER model.

Aapo Tervonen (6569585)
Teemu O. Ihalainen (263165)
Soile Nymark (668699)
Jari Hyttinen (460674)

April 2019

Values of the model parameters used to fit the molecular permeability and the TER model.</p

Summary of simulation parameters for base case, one-way sensitivity and multi-way monte carlo simulations.

James F. Burke (669594)
Kenneth M. Langa (570212)
Rodney A. Hayward (113891)
Roger L. Albin (316830)

December 2014

Summary of simulation parameters for base case, one-way sensitivity and multi-way monte carlo sim...

Illustration to show the outcomes of molecular dynamics simulations for Comp#8 ranked number 25 in Table 1.

Ying Ma (123771)
Shu-Qing Wang (124804)
Wei-Ren Xu (124808)
Run-Ling Wang (124811)
Kuo-Chen Chou (117713)

February 2013

(A) The RMSD (root mean square deviation) of all backbone atoms for the receptor PPARα. (<...

Molecular dynamic simulations in DEB subtypes.

Divya Gupta (576826)
Charitha Jayashankar (16806657)
Manoj Srinivas (16806660)
Gurudatta Baraka Vishwanathan (16806663)
Kristipati Raghavendra Reddy (16806666)
Asha Kubba (16806669)
Meenakshi Batrani (16806672)
Ravi Hiremagalore (16806675)

August 2023

A and B—Diameter analysis and illustrative structure of the clusters for wild type and missense vari...

Main set of parameters used for the DNA model and for the numerical simulations.

Pascal Carrivain (525411)
Maria Barbi (525412)
Jean-Marc Victor (34301)

February 2014

Main set of parameters used for the DNA model and for the numerical simulations.</p

The different sets of parameter values that was used in the different types of simulations.

Patrik Sahlin (247233)
Henrik Jönsson (81190)

February 2013

The different sets of parameter values that was used in the different types of simulations.</p

Illustration to show the outcomes of molecular dynamics simulations for Comp#1 ranked number 1 in Table 1.

Ying Ma (123771)
Shu-Qing Wang (124804)
Wei-Ren Xu (124808)
Run-Ling Wang (124811)
Kuo-Chen Chou (117713)

February 2013

(A) The RMSD (root mean square deviation) of all backbone atoms for the receptor PPARα. (<...

List of parameters applied in the simulation of dopamine diffusion and their references.

Isabelle Ayumi Spühler (444465)
Andreas Hauri (444466)

August 2013

List of parameters applied in the simulation of dopamine diffusion and their references.</p

The initial structure of the coarse-grained molecular dynamics simulation: CA, SDS and Na+ are represented in red, yellow and blue van der Waals representation, respectively.

Balázs Jójárt (455855)
Mihalj Poša (594769)
Béla Fiser (455854)
Milán Szőri (171561)
Zita Farkaš (594770)
Béla Viskolcz (455857)

July 2014

The initial structure of the coarse-grained molecular dynamics simulation: CA, SDS and Na+ are re...

Details of the molecular dynamics simulations performed.

Maria Martí-Solano (644060)
Ferran Sanz (89706)
Manuel Pastor (147919)
Jana Selent (147923)

October 2014

*This number of replicates was performed for each receptor.Details of the molecular dynami...

Values of the kinetic parameters used to simulate some of the dynamics of the adenylate energy system.

Ildefonso M. De la Fuente (182490)
Jesús M. Cortés (145185)
Edelmira Valero (642821)
Mathieu Desroches (642822)
Serafim Rodrigues (642823)
Iker Malaina (642824)
Luis Martínez (376810)

October 2014

Values of the kinetic parameters used to simulate some of the dynamics of the adenylate energy sy...

List of 3D PYR1 constructs taken from PDB and modeled in silico, which were used for molecular dynamics simulations and the ECD analysis.

Lyudmyla Dorosh (427604)
Olesya A. Kharenko (427605)
Nandhakishore Rajagopalan (427606)
Michele C. Loewen (427607)
Maria Stepanova (23860)

June 2013

List of 3D PYR1 constructs taken from PDB and modeled in silico, which were used for molec...

List of parameter categories, and specific parameters, used in the analysis and simulations.

Xundong Wu (6714866)
Gabriel C. Mel (6663977)
D. J. Strouse (6663980)
Bartlett W. Mel (149872)

May 2019

List of parameter categories, and specific parameters, used in the analysis and simulations.</p

Analysis of molecular dynamics simulations.

Xiao-Bo Li (2194735)
Shu-Qing Wang (124804)
Wei-Ren Xu (124808)
Run-Ling Wang (124811)
Kuo-Chen Chou (117713)

February 2013

(A) The RMSD for all backbone atoms of the Neo6-HA1 system (green) and the HA1 system (red...

Simulation snapshots of complex I molecular dynamics simulation

Outi Haapanen, Vivek Sharma (5254363)

May 2018

These are snapshots from the molecular dynamics simulations of complex I (setups I and II). These...

Values of the model parameters used to fit the molecular permeability and the TER model.

Aapo Tervonen (6569585)
Teemu O. Ihalainen (263165)
Soile Nymark (668699)
Jari Hyttinen (460674)

April 2019

Values of the model parameters used to fit the molecular permeability and the TER model.</p

Summary of simulation parameters for base case, one-way sensitivity and multi-way monte carlo simulations.

James F. Burke (669594)
Kenneth M. Langa (570212)
Rodney A. Hayward (113891)
Roger L. Albin (316830)

December 2014

Summary of simulation parameters for base case, one-way sensitivity and multi-way monte carlo sim...

Illustration to show the outcomes of molecular dynamics simulations for Comp#8 ranked number 25 in Table 1.

Ying Ma (123771)
Shu-Qing Wang (124804)
Wei-Ren Xu (124808)
Run-Ling Wang (124811)
Kuo-Chen Chou (117713)

February 2013

(A) The RMSD (root mean square deviation) of all backbone atoms for the receptor PPARα. (<...

Molecular dynamic simulations in DEB subtypes.

Divya Gupta (576826)
Charitha Jayashankar (16806657)
Manoj Srinivas (16806660)
Gurudatta Baraka Vishwanathan (16806663)
Kristipati Raghavendra Reddy (16806666)
Asha Kubba (16806669)
Meenakshi Batrani (16806672)
Ravi Hiremagalore (16806675)

August 2023

A and B—Diameter analysis and illustrative structure of the clusters for wild type and missense vari...

Main set of parameters used for the DNA model and for the numerical simulations.

Pascal Carrivain (525411)
Maria Barbi (525412)
Jean-Marc Victor (34301)

February 2014

Main set of parameters used for the DNA model and for the numerical simulations.</p

The different sets of parameter values that was used in the different types of simulations.

Patrik Sahlin (247233)
Henrik Jönsson (81190)

February 2013

The different sets of parameter values that was used in the different types of simulations.</p

Illustration to show the outcomes of molecular dynamics simulations for Comp#1 ranked number 1 in Table 1.

Ying Ma (123771)
Shu-Qing Wang (124804)
Wei-Ren Xu (124808)
Run-Ling Wang (124811)
Kuo-Chen Chou (117713)

February 2013

(A) The RMSD (root mean square deviation) of all backbone atoms for the receptor PPARα. (<...

List of parameters applied in the simulation of dopamine diffusion and their references.

Isabelle Ayumi Spühler (444465)
Andreas Hauri (444466)

August 2013

List of parameters applied in the simulation of dopamine diffusion and their references.</p

The initial structure of the coarse-grained molecular dynamics simulation: CA, SDS and Na+ are represented in red, yellow and blue van der Waals representation, respectively.

Balázs Jójárt (455855)
Mihalj Poša (594769)
Béla Fiser (455854)
Milán Szőri (171561)
Zita Farkaš (594770)
Béla Viskolcz (455857)

July 2014

The initial structure of the coarse-grained molecular dynamics simulation: CA, SDS and Na+ are re...

Details of the molecular dynamics simulations performed.

Maria Martí-Solano (644060)
Ferran Sanz (89706)
Manuel Pastor (147919)
Jana Selent (147923)

October 2014

*This number of replicates was performed for each receptor.Details of the molecular dynami...

Values of the kinetic parameters used to simulate some of the dynamics of the adenylate energy system.

Ildefonso M. De la Fuente (182490)
Jesús M. Cortés (145185)
Edelmira Valero (642821)
Mathieu Desroches (642822)
Serafim Rodrigues (642823)
Iker Malaina (642824)
Luis Martínez (376810)

October 2014

Values of the kinetic parameters used to simulate some of the dynamics of the adenylate energy sy...

List of 3D PYR1 constructs taken from PDB and modeled in silico, which were used for molecular dynamics simulations and the ECD analysis.

Lyudmyla Dorosh (427604)
Olesya A. Kharenko (427605)
Nandhakishore Rajagopalan (427606)
Michele C. Loewen (427607)
Maria Stepanova (23860)

June 2013

List of 3D PYR1 constructs taken from PDB and modeled in silico, which were used for molec...

List of parameter categories, and specific parameters, used in the analysis and simulations.

Xundong Wu (6714866)
Gabriel C. Mel (6663977)
D. J. Strouse (6663980)
Bartlett W. Mel (149872)

May 2019

List of parameter categories, and specific parameters, used in the analysis and simulations.</p

Analysis of molecular dynamics simulations.

Xiao-Bo Li (2194735)
Shu-Qing Wang (124804)
Wei-Ren Xu (124808)
Run-Ling Wang (124811)
Kuo-Chen Chou (117713)

February 2013

(A) The RMSD for all backbone atoms of the Neo6-HA1 system (green) and the HA1 system (red...

Simulation snapshots of complex I molecular dynamics simulation

Outi Haapanen, Vivek Sharma (5254363)

May 2018

These are snapshots from the molecular dynamics simulations of complex I (setups I and II). These...

Values of the model parameters used to fit the molecular permeability and the TER model.

Aapo Tervonen (6569585)
Teemu O. Ihalainen (263165)
Soile Nymark (668699)
Jari Hyttinen (460674)

April 2019

Values of the model parameters used to fit the molecular permeability and the TER model.</p

Summary of simulation parameters for base case, one-way sensitivity and multi-way monte carlo simulations.

James F. Burke (669594)
Kenneth M. Langa (570212)
Rodney A. Hayward (113891)
Roger L. Albin (316830)

December 2014

Summary of simulation parameters for base case, one-way sensitivity and multi-way monte carlo sim...

Illustration to show the outcomes of molecular dynamics simulations for Comp#8 ranked number 25 in Table 1.

Ying Ma (123771)
Shu-Qing Wang (124804)
Wei-Ren Xu (124808)
Run-Ling Wang (124811)
Kuo-Chen Chou (117713)

February 2013

(A) The RMSD (root mean square deviation) of all backbone atoms for the receptor PPARα. (<...

(A,B,C) showing parameters used in molecular dynamic simulations in RDEB-I, RDEB-S and DDEB subtypes respectively.

Abstract

Extracted data

(A,B,C) showing parameters used in molecular dynamic simulations in RDEB-I, RDEB-S and DDEB subtypes respectively.

Abstract

Extracted data

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