Top-ranked docking conformation for HF and FIP with viral 3Cpro.

Predicted docking poses for the A trisaccharides docked to the VA387 P dimer clusters at the proved HBGA binding site.

Xu-Fu Zhang (435165)
Ming Tan (34506)
Monica Chhabra (435166)
Ying-Chun Dai (435167)
Jarek Meller (25904)
Xi Jiang (194239)

July 2013

The majority of the predicted poses (each represented by a magenta ball) docked to the experiment...

Docked poses for C5 (panel A) and the five C5 derivatives with the highest predicted affinities (panels from B to F) at the 3C45 binding site.

Laura Guasch (115890)
Maria José Ojeda (5648641)
Noemí González-Abuín (135871)
Esther Sala (115893)
Adrià Cereto-Massagué (135873)
Miquel Mulero (115904)
Cristina Valls (115909)
Montserrat Pinent (115906)
Anna Ardévol (115908)
Santiago Garcia-Vallvé (87135)
Gerard Pujadas (115910)

September 2012

All of the panels in this figure and in <a href="http://www.plosone.org/article/info:doi/10.1371/...

Molecular interaction models of PmFortilin/FBP1.

Tanate Panrat (178203)
Patuma Sinthujaroen (178209)
Benjamas Nupan (178214)
Warapond Wanna (178217)
Martti Tapani Tammi (178223)
Amornrat Phongdara (178228)

March 2012

(A top) A space-filling model representing the combination of two possible interactions of FBP1 (...

Molecular docking model for HF with viral 3Cpro.

Jianmin Wang (59025)
Haoxiang Su (423640)
Ting Zhang (102583)
Jiang Du (48215)
Sheng Cui (67885)
Fan Yang (1413)
Qi Jin (12159)

March 2014

(A) The chemical structure for EV71 3C protein and HF. (B)Top-ranked docking conformation for HF ...

Exploring the Binding Mechanism of PF-07321332 SARS-CoV-2 Protease Inhibitor through Molecular Dynamics and Binding Free Energy Simulations

Bilal Ahmad
Maria Batool
Qurat ul Ain
Moon Suk Kim
Sangdun Choi

August 2021

The novel coronavirus disease, caused by severe acute respiratory coronavirus 2 (SARS-CoV-2), rapidl...

The binding modes of FA (a & b), FA-CD (c & d) and Ada-Dox (e & f) with human HIPP containing an FRα domain.

Juan-Juan Yin (409462)
Sonali Sharma (409463)
Stepan P. Shumyak (409464)
Zhi-Xin Wang (156984)
Zhi-Wei Zhou (283143)
Yangde Zhang (409465)
Peixuan Guo (22307)
Chen-Zhong Li (409466)
Jagat R. Kanwar (201043)
Tianxin Yang (311768)
Shyam S. Mohapatra (409467)
Wanqing Liu (25627)
Wei Duan (101868)
Jian-Cheng Wang (409468)
Qi Li (67548)
Xueji Zhang (392238)
Jun Tan (46388)
Lee Jia (409469)
Jun Liang (251318)
Ming Q. Wei (121882)
Xiaotian Li (394967)
Shu-Feng Zhou (295869)

May 2013

The structure of human HIPP containing a human FRα domain (PDB ID: 2WFT) was used in the docking ...

Data for: Molecular docking simulation of FMP or N-FMP and FAPα

Zhang, Yuan

April 2023

The data proves that a longer self-immolative linker of FMP improves the probe responsivity toward F...

Results demonstrating verification of the 3 protein unit cell structure with P3 symmetry, protein-protein docking matches symmetric creation from the 5 protein structure.

Aniket Magarkar (606769)
Nawel Mele (606770)
Noha Abdel-Rahman (606771)
Sarah Butcher (204203)
Mika Torkkeli (606772)
Ritva Serimaa (606773)
Arja Paananen (606774)
Markus Linder (15999)
Alex Bunker (606775)

July 2014

The results were successful, docking both the A and B trimers for both HFBI and HFBII.</p

Docking results for HFBI and HFBII fitting three protein unit (trimer).

Aniket Magarkar (606769)
Nawel Mele (606770)
Noha Abdel-Rahman (606771)
Sarah Butcher (204203)
Mika Torkkeli (606772)
Ritva Serimaa (606773)
Arja Paananen (606774)
Markus Linder (15999)
Alex Bunker (606775)

July 2014

All structures within the top 1% scored are included; four different structures were found (A–D) ...

Model of paramyxovirus activation of F by HN.

Brett D. Welch (443472)
Ping Yuan (216243)
Sayantan Bose (443473)
Christopher A. Kors (443474)
Robert A. Lamb (278997)
Theodore S. Jardetzky (252519)

August 2013

The heads of HN in the 4-heads down conformation block F activation by preventing access to criti...

Large scale docking screening and simulations of molecular dynamics for the study of ligand binding in different protein models

CHIAPPORI, FEDERICA

March 2010

Molecular recognition is central to biology, it is the starting point for almost all processes in bi...

Large scale docking screening and simulations of molecular dynamics for the study of ligand binding in different protein models

CHIAPPORI, FEDERICA

March 2010

Molecular recognition is central to biology, it is the starting point for almost all processes in bi...

Large scale docking screening and simulations of molecular dynamics for the study of ligand binding in different protein models

Chiappori, Federica

March 2010

Molecular recognition is central to biology, it is the starting point for almost all processes in bi...

Large scale docking screening and simulations of molecular dynamics for the study of ligand binding in different protein models

CHIAPPORI, FEDERICA

March 2010

Molecular recognition is central to biology, it is the starting point for almost all processes in bi...

Foreign binder test-set docking results of cross docking, rigid, and flexible receptor docking.

Simon Leis (126511)
Martin Zacharias (9025)

October 2012

Same as <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0048008#pone-004800...

Predicted docking poses for the A trisaccharides docked to the VA387 P dimer clusters at the proved HBGA binding site.

Xu-Fu Zhang (435165)
Ming Tan (34506)
Monica Chhabra (435166)
Ying-Chun Dai (435167)
Jarek Meller (25904)
Xi Jiang (194239)

July 2013

The majority of the predicted poses (each represented by a magenta ball) docked to the experiment...

Docked poses for C5 (panel A) and the five C5 derivatives with the highest predicted affinities (panels from B to F) at the 3C45 binding site.

Laura Guasch (115890)
Maria José Ojeda (5648641)
Noemí González-Abuín (135871)
Esther Sala (115893)
Adrià Cereto-Massagué (135873)
Miquel Mulero (115904)
Cristina Valls (115909)
Montserrat Pinent (115906)
Anna Ardévol (115908)
Santiago Garcia-Vallvé (87135)
Gerard Pujadas (115910)

September 2012

All of the panels in this figure and in <a href="http://www.plosone.org/article/info:doi/10.1371/...

Molecular interaction models of PmFortilin/FBP1.

Tanate Panrat (178203)
Patuma Sinthujaroen (178209)
Benjamas Nupan (178214)
Warapond Wanna (178217)
Martti Tapani Tammi (178223)
Amornrat Phongdara (178228)

March 2012

(A top) A space-filling model representing the combination of two possible interactions of FBP1 (...

Molecular docking model for HF with viral 3Cpro.

Jianmin Wang (59025)
Haoxiang Su (423640)
Ting Zhang (102583)
Jiang Du (48215)
Sheng Cui (67885)
Fan Yang (1413)
Qi Jin (12159)

March 2014

(A) The chemical structure for EV71 3C protein and HF. (B)Top-ranked docking conformation for HF ...

Exploring the Binding Mechanism of PF-07321332 SARS-CoV-2 Protease Inhibitor through Molecular Dynamics and Binding Free Energy Simulations

Bilal Ahmad
Maria Batool
Qurat ul Ain
Moon Suk Kim
Sangdun Choi

August 2021

The novel coronavirus disease, caused by severe acute respiratory coronavirus 2 (SARS-CoV-2), rapidl...

The binding modes of FA (a & b), FA-CD (c & d) and Ada-Dox (e & f) with human HIPP containing an FRα domain.

Juan-Juan Yin (409462)
Sonali Sharma (409463)
Stepan P. Shumyak (409464)
Zhi-Xin Wang (156984)
Zhi-Wei Zhou (283143)
Yangde Zhang (409465)
Peixuan Guo (22307)
Chen-Zhong Li (409466)
Jagat R. Kanwar (201043)
Tianxin Yang (311768)
Shyam S. Mohapatra (409467)
Wanqing Liu (25627)
Wei Duan (101868)
Jian-Cheng Wang (409468)
Qi Li (67548)
Xueji Zhang (392238)
Jun Tan (46388)
Lee Jia (409469)
Jun Liang (251318)
Ming Q. Wei (121882)
Xiaotian Li (394967)
Shu-Feng Zhou (295869)

May 2013

The structure of human HIPP containing a human FRα domain (PDB ID: 2WFT) was used in the docking ...

Data for: Molecular docking simulation of FMP or N-FMP and FAPα

Zhang, Yuan

April 2023

The data proves that a longer self-immolative linker of FMP improves the probe responsivity toward F...

Results demonstrating verification of the 3 protein unit cell structure with P3 symmetry, protein-protein docking matches symmetric creation from the 5 protein structure.

Aniket Magarkar (606769)
Nawel Mele (606770)
Noha Abdel-Rahman (606771)
Sarah Butcher (204203)
Mika Torkkeli (606772)
Ritva Serimaa (606773)
Arja Paananen (606774)
Markus Linder (15999)
Alex Bunker (606775)

July 2014

The results were successful, docking both the A and B trimers for both HFBI and HFBII.</p

Docking results for HFBI and HFBII fitting three protein unit (trimer).

Aniket Magarkar (606769)
Nawel Mele (606770)
Noha Abdel-Rahman (606771)
Sarah Butcher (204203)
Mika Torkkeli (606772)
Ritva Serimaa (606773)
Arja Paananen (606774)
Markus Linder (15999)
Alex Bunker (606775)

July 2014

All structures within the top 1% scored are included; four different structures were found (A–D) ...

Model of paramyxovirus activation of F by HN.

Brett D. Welch (443472)
Ping Yuan (216243)
Sayantan Bose (443473)
Christopher A. Kors (443474)
Robert A. Lamb (278997)
Theodore S. Jardetzky (252519)

August 2013

The heads of HN in the 4-heads down conformation block F activation by preventing access to criti...

Large scale docking screening and simulations of molecular dynamics for the study of ligand binding in different protein models

CHIAPPORI, FEDERICA

March 2010

Molecular recognition is central to biology, it is the starting point for almost all processes in bi...

Large scale docking screening and simulations of molecular dynamics for the study of ligand binding in different protein models

CHIAPPORI, FEDERICA

March 2010

Molecular recognition is central to biology, it is the starting point for almost all processes in bi...

Large scale docking screening and simulations of molecular dynamics for the study of ligand binding in different protein models

Chiappori, Federica

March 2010

Molecular recognition is central to biology, it is the starting point for almost all processes in bi...

Large scale docking screening and simulations of molecular dynamics for the study of ligand binding in different protein models

CHIAPPORI, FEDERICA

March 2010

Molecular recognition is central to biology, it is the starting point for almost all processes in bi...

Foreign binder test-set docking results of cross docking, rigid, and flexible receptor docking.

Simon Leis (126511)
Martin Zacharias (9025)

October 2012

Same as <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0048008#pone-004800...

Predicted docking poses for the A trisaccharides docked to the VA387 P dimer clusters at the proved HBGA binding site.

Xu-Fu Zhang (435165)
Ming Tan (34506)
Monica Chhabra (435166)
Ying-Chun Dai (435167)
Jarek Meller (25904)
Xi Jiang (194239)

July 2013

The majority of the predicted poses (each represented by a magenta ball) docked to the experiment...

Docked poses for C5 (panel A) and the five C5 derivatives with the highest predicted affinities (panels from B to F) at the 3C45 binding site.

Laura Guasch (115890)
Maria José Ojeda (5648641)
Noemí González-Abuín (135871)
Esther Sala (115893)
Adrià Cereto-Massagué (135873)
Miquel Mulero (115904)
Cristina Valls (115909)
Montserrat Pinent (115906)
Anna Ardévol (115908)
Santiago Garcia-Vallvé (87135)
Gerard Pujadas (115910)

September 2012

All of the panels in this figure and in <a href="http://www.plosone.org/article/info:doi/10.1371/...

Molecular interaction models of PmFortilin/FBP1.

Tanate Panrat (178203)
Patuma Sinthujaroen (178209)
Benjamas Nupan (178214)
Warapond Wanna (178217)
Martti Tapani Tammi (178223)
Amornrat Phongdara (178228)

March 2012

(A top) A space-filling model representing the combination of two possible interactions of FBP1 (...

Top-ranked docking conformation for HF and FIP with viral 3C<sup>pro</sup>.

Abstract

Extracted data

Top-ranked docking conformation for HF and FIP with viral 3C<sup>pro</sup>.

Abstract

Extracted data

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