docking tool pyrex 9.0 Search Results


docking tool pyrex 9.0  (Corning Life Sciences)
90
Corning Life Sciences docking tool pyrex 9.0
Docking Tool Pyrex 9.0, supplied by Corning Life Sciences, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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docking tool pyrex 9.0 - by Bioz Stars, 2026-03
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pymol software  (Schrodinger LLC)
90
Schrodinger LLC pymol software
Pymol Software, supplied by Schrodinger LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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autodock vina  (AUTODOCK GmbH)
90
AUTODOCK GmbH autodock vina
Autodock Vina, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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1-click docking  (Mcule Inc)
90
Mcule Inc 1-click docking
1 Click Docking, supplied by Mcule Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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molecular docking autodock vina  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular docking autodock vina
Molecular Docking Autodock Vina, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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computerized protein–ligand docking software cb-dock2  (AUTODOCK GmbH)
90
AUTODOCK GmbH computerized protein–ligand docking software cb-dock2
Computerized Protein–Ligand Docking Software Cb Dock2, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/computerized protein–ligand docking software cb-dock2/product/AUTODOCK GmbH
Average 90 stars, based on 1 article reviews
computerized protein–ligand docking software cb-dock2 - by Bioz Stars, 2026-03
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cb-dock2  (Accelrys)
90
Accelrys cb-dock2
Docking results of Fumagillin, TNP-470, and Beloranib with MetAP2. The docking results of fumagillin ( A ), TNP-470 ( B ), and beloranib ( C ) with MetAP2, performed using <t>CB-Dock2</t> ( https://cadd.labshare.cn/cb-dock2/ , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298), are presented. The MetAP2 structure (PDB ID: 1BOA) was obtained from the Protein Data Bank, and ligand structures (SDF files) were downloaded from PubChem. The docking process was conducted using CB-Dock2, which predicted binding poses and calculated binding scores (in kcal/mol). The binding scores for fumagillin, TNP-470, and beloranib were −6.7, −6.8, and −6.2 kcal/mol, respectively. Key contact residues involved in hydrogen bonding and hydrophobic interactions are displayed in the 2D interaction diagrams, including His231, Tyr444, Leu447, and His382. These residues are critical for stabilizing the inhibitors within the MetAP2 active site. The docking study highlights the covalent and hydrophobic interactions, particularly with His231, which is essential for MetAP2 inhibition.
Cb Dock2, supplied by Accelrys, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/cb-dock2/product/Accelrys
Average 90 stars, based on 1 article reviews
cb-dock2 - by Bioz Stars, 2026-03
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cryosparc v3.2.0  (Structura Biotechnology Inc)
90
Structura Biotechnology Inc cryosparc v3.2.0
Docking results of Fumagillin, TNP-470, and Beloranib with MetAP2. The docking results of fumagillin ( A ), TNP-470 ( B ), and beloranib ( C ) with MetAP2, performed using <t>CB-Dock2</t> ( https://cadd.labshare.cn/cb-dock2/ , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298), are presented. The MetAP2 structure (PDB ID: 1BOA) was obtained from the Protein Data Bank, and ligand structures (SDF files) were downloaded from PubChem. The docking process was conducted using CB-Dock2, which predicted binding poses and calculated binding scores (in kcal/mol). The binding scores for fumagillin, TNP-470, and beloranib were −6.7, −6.8, and −6.2 kcal/mol, respectively. Key contact residues involved in hydrogen bonding and hydrophobic interactions are displayed in the 2D interaction diagrams, including His231, Tyr444, Leu447, and His382. These residues are critical for stabilizing the inhibitors within the MetAP2 active site. The docking study highlights the covalent and hydrophobic interactions, particularly with His231, which is essential for MetAP2 inhibition.
Cryosparc V3.2.0, supplied by Structura Biotechnology Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/cryosparc v3.2.0/product/Structura Biotechnology Inc
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cryosparc v3.2.0 - by Bioz Stars, 2026-03
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dock 8  (Proteintech)
94
Proteintech dock 8
Docking results of Fumagillin, TNP-470, and Beloranib with MetAP2. The docking results of fumagillin ( A ), TNP-470 ( B ), and beloranib ( C ) with MetAP2, performed using <t>CB-Dock2</t> ( https://cadd.labshare.cn/cb-dock2/ , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298), are presented. The MetAP2 structure (PDB ID: 1BOA) was obtained from the Protein Data Bank, and ligand structures (SDF files) were downloaded from PubChem. The docking process was conducted using CB-Dock2, which predicted binding poses and calculated binding scores (in kcal/mol). The binding scores for fumagillin, TNP-470, and beloranib were −6.7, −6.8, and −6.2 kcal/mol, respectively. Key contact residues involved in hydrogen bonding and hydrophobic interactions are displayed in the 2D interaction diagrams, including His231, Tyr444, Leu447, and His382. These residues are critical for stabilizing the inhibitors within the MetAP2 active site. The docking study highlights the covalent and hydrophobic interactions, particularly with His231, which is essential for MetAP2 inhibition.
Dock 8, supplied by Proteintech, used in various techniques. Bioz Stars score: 94/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/dock 8/product/Proteintech
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dock 8 - by Bioz Stars, 2026-03
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docking calculations  (AUTODOCK GmbH)
90
AUTODOCK GmbH docking calculations
Docking results of Fumagillin, TNP-470, and Beloranib with MetAP2. The docking results of fumagillin ( A ), TNP-470 ( B ), and beloranib ( C ) with MetAP2, performed using <t>CB-Dock2</t> ( https://cadd.labshare.cn/cb-dock2/ , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298), are presented. The MetAP2 structure (PDB ID: 1BOA) was obtained from the Protein Data Bank, and ligand structures (SDF files) were downloaded from PubChem. The docking process was conducted using CB-Dock2, which predicted binding poses and calculated binding scores (in kcal/mol). The binding scores for fumagillin, TNP-470, and beloranib were −6.7, −6.8, and −6.2 kcal/mol, respectively. Key contact residues involved in hydrogen bonding and hydrophobic interactions are displayed in the 2D interaction diagrams, including His231, Tyr444, Leu447, and His382. These residues are critical for stabilizing the inhibitors within the MetAP2 active site. The docking study highlights the covalent and hydrophobic interactions, particularly with His231, which is essential for MetAP2 inhibition.
Docking Calculations, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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docking calculations - by Bioz Stars, 2026-03
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molecular docking  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular docking
Docking results of Fumagillin, TNP-470, and Beloranib with MetAP2. The docking results of fumagillin ( A ), TNP-470 ( B ), and beloranib ( C ) with MetAP2, performed using <t>CB-Dock2</t> ( https://cadd.labshare.cn/cb-dock2/ , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298), are presented. The MetAP2 structure (PDB ID: 1BOA) was obtained from the Protein Data Bank, and ligand structures (SDF files) were downloaded from PubChem. The docking process was conducted using CB-Dock2, which predicted binding poses and calculated binding scores (in kcal/mol). The binding scores for fumagillin, TNP-470, and beloranib were −6.7, −6.8, and −6.2 kcal/mol, respectively. Key contact residues involved in hydrogen bonding and hydrophobic interactions are displayed in the 2D interaction diagrams, including His231, Tyr444, Leu447, and His382. These residues are critical for stabilizing the inhibitors within the MetAP2 active site. The docking study highlights the covalent and hydrophobic interactions, particularly with His231, which is essential for MetAP2 inhibition.
Molecular Docking, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/molecular docking/product/AUTODOCK GmbH
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molecular docking - by Bioz Stars, 2026-03
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molecular docking  (Molecular Dynamics Inc)
90
Molecular Dynamics Inc molecular docking
Docking results of Fumagillin, TNP-470, and Beloranib with MetAP2. The docking results of fumagillin ( A ), TNP-470 ( B ), and beloranib ( C ) with MetAP2, performed using <t>CB-Dock2</t> ( https://cadd.labshare.cn/cb-dock2/ , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298), are presented. The MetAP2 structure (PDB ID: 1BOA) was obtained from the Protein Data Bank, and ligand structures (SDF files) were downloaded from PubChem. The docking process was conducted using CB-Dock2, which predicted binding poses and calculated binding scores (in kcal/mol). The binding scores for fumagillin, TNP-470, and beloranib were −6.7, −6.8, and −6.2 kcal/mol, respectively. Key contact residues involved in hydrogen bonding and hydrophobic interactions are displayed in the 2D interaction diagrams, including His231, Tyr444, Leu447, and His382. These residues are critical for stabilizing the inhibitors within the MetAP2 active site. The docking study highlights the covalent and hydrophobic interactions, particularly with His231, which is essential for MetAP2 inhibition.
Molecular Docking, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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molecular docking - by Bioz Stars, 2026-03
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Image Search Results


Docking results of Fumagillin, TNP-470, and Beloranib with MetAP2. The docking results of fumagillin ( A ), TNP-470 ( B ), and beloranib ( C ) with MetAP2, performed using CB-Dock2 ( https://cadd.labshare.cn/cb-dock2/ , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298), are presented. The MetAP2 structure (PDB ID: 1BOA) was obtained from the Protein Data Bank, and ligand structures (SDF files) were downloaded from PubChem. The docking process was conducted using CB-Dock2, which predicted binding poses and calculated binding scores (in kcal/mol). The binding scores for fumagillin, TNP-470, and beloranib were −6.7, −6.8, and −6.2 kcal/mol, respectively. Key contact residues involved in hydrogen bonding and hydrophobic interactions are displayed in the 2D interaction diagrams, including His231, Tyr444, Leu447, and His382. These residues are critical for stabilizing the inhibitors within the MetAP2 active site. The docking study highlights the covalent and hydrophobic interactions, particularly with His231, which is essential for MetAP2 inhibition.

Journal: Biomolecules

Article Title: MetAP2 as a Therapeutic Target for Obesity and Type 2 Diabetes: Structural Insights, Mechanistic Roles, and Inhibitor Development

doi: 10.3390/biom14121572

Figure Lengend Snippet: Docking results of Fumagillin, TNP-470, and Beloranib with MetAP2. The docking results of fumagillin ( A ), TNP-470 ( B ), and beloranib ( C ) with MetAP2, performed using CB-Dock2 ( https://cadd.labshare.cn/cb-dock2/ , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298), are presented. The MetAP2 structure (PDB ID: 1BOA) was obtained from the Protein Data Bank, and ligand structures (SDF files) were downloaded from PubChem. The docking process was conducted using CB-Dock2, which predicted binding poses and calculated binding scores (in kcal/mol). The binding scores for fumagillin, TNP-470, and beloranib were −6.7, −6.8, and −6.2 kcal/mol, respectively. Key contact residues involved in hydrogen bonding and hydrophobic interactions are displayed in the 2D interaction diagrams, including His231, Tyr444, Leu447, and His382. These residues are critical for stabilizing the inhibitors within the MetAP2 active site. The docking study highlights the covalent and hydrophobic interactions, particularly with His231, which is essential for MetAP2 inhibition.

Article Snippet: To address this gap, ligand-protein docking studies were conducted using CB-Dock2 ( http://183.56.231.194:8001/cb-dock2/index.php , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298) to investigate the interactions between MetAP2 and six key inhibitors: fumagillin, TNP-470, beloranib, ZGN-1061, indazole (Compound 38), and pyrazolo[4,3-b]indole (Compound 10).

Techniques: Binding Assay, Inhibition

Docking results of ZGN-1061, Indazole, and Pyrazolo[4,3-b]indole with MetAP2. The docking results of ZGN-1061 ( A ), indazole ( B ), and pyrazolo[4,3-b]indole ( C ) with MetAP2 were obtained using CB-Dock2 ( https://cadd.labshare.cn/cb-dock2/ , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298). The MetAP2 structure (PDB ID: 1BOA) was obtained from the Protein Data Bank, and ligand structures (SDF files) were retrieved from PubChem. CB-Dock2 was employed to predict the binding sites and calculate binding scores (in kcal/mol), which were −7.2, −8.3, and −8.1 kcal/mol for ZGN-1061, indazole, and pyrazolo[4,3-b]indole, respectively. The 2D interaction diagrams depict the binding interactions with key residues such as His231, His339, Tyr444, and Leu447. Both indazole and pyrazolo[4,3-b]indole formed strong non-covalent interactions with the active site metal ions, while ZGN-1061 demonstrated a balanced binding profile with hydrophobic contacts in the adjacent pocket. The results emphasize the importance of nitrogen-containing warheads and hydrophobic substituents at the 6- and 7-positions for maximizing the binding affinity and stability.

Journal: Biomolecules

Article Title: MetAP2 as a Therapeutic Target for Obesity and Type 2 Diabetes: Structural Insights, Mechanistic Roles, and Inhibitor Development

doi: 10.3390/biom14121572

Figure Lengend Snippet: Docking results of ZGN-1061, Indazole, and Pyrazolo[4,3-b]indole with MetAP2. The docking results of ZGN-1061 ( A ), indazole ( B ), and pyrazolo[4,3-b]indole ( C ) with MetAP2 were obtained using CB-Dock2 ( https://cadd.labshare.cn/cb-dock2/ , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298). The MetAP2 structure (PDB ID: 1BOA) was obtained from the Protein Data Bank, and ligand structures (SDF files) were retrieved from PubChem. CB-Dock2 was employed to predict the binding sites and calculate binding scores (in kcal/mol), which were −7.2, −8.3, and −8.1 kcal/mol for ZGN-1061, indazole, and pyrazolo[4,3-b]indole, respectively. The 2D interaction diagrams depict the binding interactions with key residues such as His231, His339, Tyr444, and Leu447. Both indazole and pyrazolo[4,3-b]indole formed strong non-covalent interactions with the active site metal ions, while ZGN-1061 demonstrated a balanced binding profile with hydrophobic contacts in the adjacent pocket. The results emphasize the importance of nitrogen-containing warheads and hydrophobic substituents at the 6- and 7-positions for maximizing the binding affinity and stability.

Article Snippet: To address this gap, ligand-protein docking studies were conducted using CB-Dock2 ( http://183.56.231.194:8001/cb-dock2/index.php , accessed on 14 November 2024) and visualized with the Biovia Discovery Studio Visualizer (version 21.1.0.20298) to investigate the interactions between MetAP2 and six key inhibitors: fumagillin, TNP-470, beloranib, ZGN-1061, indazole (Compound 38), and pyrazolo[4,3-b]indole (Compound 10).

Techniques: Binding Assay