Overall stability of 20 ns MD simulation for WT and C-terminal-deleted PTCRs.

Global properties for molecular dynamics simulations.

Weiwei Xue (527290)
Ying Yang (24175)
Xiaoting Wang (206653)
Huanxiang Liu (418534)
Xiaojun Yao (220558)

February 2014

(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...

The RMSD and potential energy plots for six complex structures.

Minky Son (140522)
Ayoung Baek (503198)
Sugunadevi Sakkiah (286337)
Chanin Park (503199)
Shalini John (117271)
Keun Woo Lee (117280)

December 2013

(A) The RMSD for backbone atoms of the protein. (B) The potential energy of the system. These plo...

Overall dynamic behaviors in the MD simulations.

Garvita Gupta (158903)
Liangzhong Lim (229433)
Jianxing Song (143189)

August 2015

Structure snapshots (one structure for 2-ns interval) of the first MD simulations respectively fo...

Root-mean-square deviation (RMSD) plot for the SP-G backbone atoms.

Felix Rausch (302371)
Martin Schicht (287742)
Friedrich Paulsen (44377)
Ivan Ngueya (302372)
Lars Bräuer (287741)
Wolfgang Brandt (248665)

February 2013

The RMSD was calculated over the whole simulation process to check the stability of the unmodifie...

RMSD values during the MD simulation.

Angelo D. Favia (343486)
Matteo Masetti (123489)
Maurizio Recanatini (123491)
Andrea Cavalli (102196)

February 2013

Proteins Cα (A), heavy atoms of NADPH cofactor (B) and substrate cortisone (C) are plotted as fun...

The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G3T (substrate) atoms (red curve) computed during the MD simulation.

Chien-wei Fu (435146)
Yu-Ping Wang (137534)
Tsuei-Yun Fang (435147)
Thy-Hou Lin (20821)

July 2013

The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G3...

Structural comparison using the extreme configurations obtained from essential dynamics analysis.

Minky Son (140522)
Woo Young Bang (140565)
Chanin Park (503199)
Yuno Lee (117275)
Seul Gi Kwon (140521)
Sam Woong Kim (539332)
Chul Wook Kim (140569)
Keun Woo Lee (117280)

March 2014

The configurations taken from the simulation of WT PTCR (A) and C-terminal-deleted PTCR (B) were ...

Trajectories of MD simulations.

Shixiong Lua (229436)
Haina Qin (143174)
Liangzhong Lim (229433)
Jiahai Shi (229430)
Garvita Gupta (158903)
Jianxing Song (143189)

February 2013

(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...

Molecular dynamics simulations of STAT5 proteins.

Florent Langenfeld (840773)
Yann Guarracino (840774)
Michel Arock (91968)
Alain Trouvé (606791)
Luba Tchertanov (140042)

January 2016

(A) The root mean square deviations (RMSDs) from the initial coordinates computed on the C...

RMSD and RMSF profile for WT-ANG and mutants.

Aditya K. Padhi (181143)
Hirdesh Kumar (181146)
Suhas V. Vasaikar (181149)
Bhyravabhotla Jayaram (181151)
James Gomes (181153)

February 2012

(A) Control plots representing the stability of the models during the molecular dynamics run. The...

Fig 6 -

Asim Rehman (17364433)
Shazia Anwer Bukhari (9421645)
Naheed Akhter (17364436)
Muhammad Abdullah Ijaz Hussain (17364439)
Zunera Chauhdary (14649573)

November 2023

MD Simulation RMSD Plot of C-alpha atoms in proteins and ligands (A) Hesperetin (B) Curcumin (C) Iso...

MD simulations of the CSF-1R cytoplasmic domain in the inactive state.

Priscila Da Silva Figueiredo Celestino Gomes (564218)
Nicolas Panel (564219)
Elodie Laine (140035)
Pedro Geraldo Pascutti (564220)
Eric Solary (190694)
Luba Tchertanov (140042)

May 2014

Two forms of receptor, the native (CSF-1RWT and CSF-1RMU (D802V) were simul...

Analysis of MD trajectories.

Abhinav Grover (185963)
Rumani Singh (185969)
Ashutosh Shandilya (185976)
Didik Priyandoko (185982)
Vibhuti Agrawal (185987)
Virendra S. Bisaria (185993)
Renu Wadhwa (185998)
Sunil C. Kaul (186002)
Durai Sundar (186005)

January 2012

(A) Plot of root mean square deviation (RMSD) of Cα of TPX2-Aurora A (protein) and TPX2/Aurora A ...

Molecular Dynamic simulation.

Annarita Fiorillo (140695)
Daniele di Marino (5658514)
Lucia Bertuccini (182719)
Allegra Via (3989)
Edoardo Pozio (139157)
Serena Camerini (469772)
Andrea Ilari (140699)
Marco Lalle (469770)

March 2014

A) The evolution of the RMSD (Root Mean Square Deviation) of WT-g14-3-3 (in red) and Pho-g14-3-3 ...

Trajectory-based structural stability analyses of WT and mutants.

Poornima Gajendrarao (391607)
Navaneethakrishnan Krishnamoorthy (391608)
Heba Sh Kassem (391609)
Sarah Moharem-Elgamal (391610)
Franco Cecchi (391611)
Iacopo Olivotto (391612)
Magdi H. Yacoub (75834)

March 2013

(A) Root mean square deviation (RMSD) and (B) average root mean square fluctuation (RMSF) of resi...

Global properties for molecular dynamics simulations.

Weiwei Xue (527290)
Ying Yang (24175)
Xiaoting Wang (206653)
Huanxiang Liu (418534)
Xiaojun Yao (220558)

February 2014

(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...

The RMSD and potential energy plots for six complex structures.

Minky Son (140522)
Ayoung Baek (503198)
Sugunadevi Sakkiah (286337)
Chanin Park (503199)
Shalini John (117271)
Keun Woo Lee (117280)

December 2013

(A) The RMSD for backbone atoms of the protein. (B) The potential energy of the system. These plo...

Overall dynamic behaviors in the MD simulations.

Garvita Gupta (158903)
Liangzhong Lim (229433)
Jianxing Song (143189)

August 2015

Structure snapshots (one structure for 2-ns interval) of the first MD simulations respectively fo...

Root-mean-square deviation (RMSD) plot for the SP-G backbone atoms.

Felix Rausch (302371)
Martin Schicht (287742)
Friedrich Paulsen (44377)
Ivan Ngueya (302372)
Lars Bräuer (287741)
Wolfgang Brandt (248665)

February 2013

The RMSD was calculated over the whole simulation process to check the stability of the unmodifie...

RMSD values during the MD simulation.

Angelo D. Favia (343486)
Matteo Masetti (123489)
Maurizio Recanatini (123491)
Andrea Cavalli (102196)

February 2013

Proteins Cα (A), heavy atoms of NADPH cofactor (B) and substrate cortisone (C) are plotted as fun...

The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G3T (substrate) atoms (red curve) computed during the MD simulation.

Chien-wei Fu (435146)
Yu-Ping Wang (137534)
Tsuei-Yun Fang (435147)
Thy-Hou Lin (20821)

July 2013

The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G3...

Structural comparison using the extreme configurations obtained from essential dynamics analysis.

Minky Son (140522)
Woo Young Bang (140565)
Chanin Park (503199)
Yuno Lee (117275)
Seul Gi Kwon (140521)
Sam Woong Kim (539332)
Chul Wook Kim (140569)
Keun Woo Lee (117280)

March 2014

The configurations taken from the simulation of WT PTCR (A) and C-terminal-deleted PTCR (B) were ...

Trajectories of MD simulations.

Shixiong Lua (229436)
Haina Qin (143174)
Liangzhong Lim (229433)
Jiahai Shi (229430)
Garvita Gupta (158903)
Jianxing Song (143189)

February 2013

(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...

Molecular dynamics simulations of STAT5 proteins.

Florent Langenfeld (840773)
Yann Guarracino (840774)
Michel Arock (91968)
Alain Trouvé (606791)
Luba Tchertanov (140042)

January 2016

(A) The root mean square deviations (RMSDs) from the initial coordinates computed on the C...

RMSD and RMSF profile for WT-ANG and mutants.

Aditya K. Padhi (181143)
Hirdesh Kumar (181146)
Suhas V. Vasaikar (181149)
Bhyravabhotla Jayaram (181151)
James Gomes (181153)

February 2012

(A) Control plots representing the stability of the models during the molecular dynamics run. The...

Fig 6 -

Asim Rehman (17364433)
Shazia Anwer Bukhari (9421645)
Naheed Akhter (17364436)
Muhammad Abdullah Ijaz Hussain (17364439)
Zunera Chauhdary (14649573)

November 2023

MD Simulation RMSD Plot of C-alpha atoms in proteins and ligands (A) Hesperetin (B) Curcumin (C) Iso...

MD simulations of the CSF-1R cytoplasmic domain in the inactive state.

Priscila Da Silva Figueiredo Celestino Gomes (564218)
Nicolas Panel (564219)
Elodie Laine (140035)
Pedro Geraldo Pascutti (564220)
Eric Solary (190694)
Luba Tchertanov (140042)

May 2014

Two forms of receptor, the native (CSF-1RWT and CSF-1RMU (D802V) were simul...

Analysis of MD trajectories.

Abhinav Grover (185963)
Rumani Singh (185969)
Ashutosh Shandilya (185976)
Didik Priyandoko (185982)
Vibhuti Agrawal (185987)
Virendra S. Bisaria (185993)
Renu Wadhwa (185998)
Sunil C. Kaul (186002)
Durai Sundar (186005)

January 2012

(A) Plot of root mean square deviation (RMSD) of Cα of TPX2-Aurora A (protein) and TPX2/Aurora A ...

Molecular Dynamic simulation.

Annarita Fiorillo (140695)
Daniele di Marino (5658514)
Lucia Bertuccini (182719)
Allegra Via (3989)
Edoardo Pozio (139157)
Serena Camerini (469772)
Andrea Ilari (140699)
Marco Lalle (469770)

March 2014

A) The evolution of the RMSD (Root Mean Square Deviation) of WT-g14-3-3 (in red) and Pho-g14-3-3 ...

Trajectory-based structural stability analyses of WT and mutants.

Poornima Gajendrarao (391607)
Navaneethakrishnan Krishnamoorthy (391608)
Heba Sh Kassem (391609)
Sarah Moharem-Elgamal (391610)
Franco Cecchi (391611)
Iacopo Olivotto (391612)
Magdi H. Yacoub (75834)

March 2013

(A) Root mean square deviation (RMSD) and (B) average root mean square fluctuation (RMSF) of resi...

Global properties for molecular dynamics simulations.

Weiwei Xue (527290)
Ying Yang (24175)
Xiaoting Wang (206653)
Huanxiang Liu (418534)
Xiaojun Yao (220558)

February 2014

(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...

The RMSD and potential energy plots for six complex structures.

Minky Son (140522)
Ayoung Baek (503198)
Sugunadevi Sakkiah (286337)
Chanin Park (503199)
Shalini John (117271)
Keun Woo Lee (117280)

December 2013

(A) The RMSD for backbone atoms of the protein. (B) The potential energy of the system. These plo...

Overall dynamic behaviors in the MD simulations.

Garvita Gupta (158903)
Liangzhong Lim (229433)
Jianxing Song (143189)

August 2015

Structure snapshots (one structure for 2-ns interval) of the first MD simulations respectively fo...

Overall stability of 20 ns MD simulation for WT and C-terminal-deleted PTCRs.

Abstract

Extracted data

Overall stability of 20 ns MD simulation for WT and C-terminal-deleted PTCRs.

Abstract

Extracted data

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