molecular docking Search Results


rabbit antibody  (ProSci Incorporated)
92
ProSci Incorporated rabbit antibody
Rabbit Antibody, supplied by ProSci Incorporated, used in various techniques. Bioz Stars score: 92/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/rabbit antibody/product/ProSci Incorporated
Average 92 stars, based on 1 article reviews
rabbit antibody - by Bioz Stars, 2026-03
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molecular docking s5  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular docking s5
Molecular Docking S5, 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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Average 90 stars, based on 1 article reviews
molecular docking s5 - by Bioz Stars, 2026-03
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molecular docking  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular docking
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
Average 90 stars, based on 1 article reviews
molecular docking - by Bioz Stars, 2026-03
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molecular docking calculations  (Molecular Dynamics Inc)
90
Molecular Dynamics Inc molecular docking calculations
Molecular Docking Calculations, 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
https://www.bioz.com/result/molecular docking calculations/product/Molecular Dynamics Inc
Average 90 stars, based on 1 article reviews
molecular docking calculations - by Bioz Stars, 2026-03
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docking solution  (Molecular Dynamics Inc)
90
Molecular Dynamics Inc docking solution
Docking Solution, 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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Average 90 stars, based on 1 article reviews
docking solution - by Bioz Stars, 2026-03
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4.0 suite molecular-docking tool  (AUTODOCK GmbH)
90
AUTODOCK GmbH 4.0 suite molecular-docking tool
4.0 Suite Molecular Docking Tool, 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/4.0 suite molecular-docking tool/product/AUTODOCK GmbH
Average 90 stars, based on 1 article reviews
4.0 suite molecular-docking tool - by Bioz Stars, 2026-03
90/100 stars
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icm-pro 3.8 molecular docking software  (Molsoft LLC)
90
Molsoft LLC icm-pro 3.8 molecular docking software
( A <t>)</t> <t>Compound</t> 3 was observed to occupy the active site with significant scores of <t>ICM</t> docking score and IMC docking mfScore, and adopted a conformation similar to that of known inhibitors. ( B ) Compound 3 had the ability to form key hydrophobic interaction with residues Leu126, Tyr177, Tyr183, and Leu171.
Icm Pro 3.8 Molecular Docking Software, supplied by Molsoft LLC, 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/icm-pro 3.8 molecular docking software/product/Molsoft LLC
Average 90 stars, based on 1 article reviews
icm-pro 3.8 molecular docking software - by Bioz Stars, 2026-03
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vina molecular docking program  (AUTODOCK GmbH)
90
AUTODOCK GmbH vina molecular docking program
( A <t>)</t> <t>Compound</t> 3 was observed to occupy the active site with significant scores of <t>ICM</t> docking score and IMC docking mfScore, and adopted a conformation similar to that of known inhibitors. ( B ) Compound 3 had the ability to form key hydrophobic interaction with residues Leu126, Tyr177, Tyr183, and Leu171.
Vina Molecular Docking Program, 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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Average 90 stars, based on 1 article reviews
vina molecular docking program - by Bioz Stars, 2026-03
90/100 stars
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molecular docking program  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular docking program
( A <t>)</t> <t>Compound</t> 3 was observed to occupy the active site with significant scores of <t>ICM</t> docking score and IMC docking mfScore, and adopted a conformation similar to that of known inhibitors. ( B ) Compound 3 had the ability to form key hydrophobic interaction with residues Leu126, Tyr177, Tyr183, and Leu171.
Molecular Docking Program, 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 program/product/AUTODOCK GmbH
Average 90 stars, based on 1 article reviews
molecular docking program - by Bioz Stars, 2026-03
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molecular docking analysis  (Mcule Inc)
90
Mcule Inc molecular docking analysis
( A <t>)</t> <t>Compound</t> 3 was observed to occupy the active site with significant scores of <t>ICM</t> docking score and IMC docking mfScore, and adopted a conformation similar to that of known inhibitors. ( B ) Compound 3 had the ability to form key hydrophobic interaction with residues Leu126, Tyr177, Tyr183, and Leu171.
Molecular Docking Analysis, 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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Average 90 stars, based on 1 article reviews
molecular docking analysis - by Bioz Stars, 2026-03
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3d model of the interaction between compound 9e in the active site of mark4  (Accelrys)
90
Accelrys 3d model of the interaction between compound 9e in the active site of mark4
( A <t>)</t> <t>Compound</t> 3 was observed to occupy the active site with significant scores of <t>ICM</t> docking score and IMC docking mfScore, and adopted a conformation similar to that of known inhibitors. ( B ) Compound 3 had the ability to form key hydrophobic interaction with residues Leu126, Tyr177, Tyr183, and Leu171.
3d Model Of The Interaction Between Compound 9e In The Active Site Of Mark4, 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/3d model of the interaction between compound 9e in the active site of mark4/product/Accelrys
Average 90 stars, based on 1 article reviews
3d model of the interaction between compound 9e in the active site of mark4 - by Bioz Stars, 2026-03
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molecular docking  (China Pharmaceuticals Inc)
90
China Pharmaceuticals Inc molecular docking
( A <t>)</t> <t>Compound</t> 3 was observed to occupy the active site with significant scores of <t>ICM</t> docking score and IMC docking mfScore, and adopted a conformation similar to that of known inhibitors. ( B ) Compound 3 had the ability to form key hydrophobic interaction with residues Leu126, Tyr177, Tyr183, and Leu171.
Molecular Docking, supplied by China Pharmaceuticals 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/molecular docking/product/China Pharmaceuticals Inc
Average 90 stars, based on 1 article reviews
molecular docking - by Bioz Stars, 2026-03
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Image Search Results


( A ) Compound 3 was observed to occupy the active site with significant scores of ICM docking score and IMC docking mfScore, and adopted a conformation similar to that of known inhibitors. ( B ) Compound 3 had the ability to form key hydrophobic interaction with residues Leu126, Tyr177, Tyr183, and Leu171.

Journal: Scientific Reports

Article Title: Novel small molecule 11 β -HSD1 inhibitor from the endophytic fungus Penicillium commune

doi: 10.1038/srep26418

Figure Lengend Snippet: ( A ) Compound 3 was observed to occupy the active site with significant scores of ICM docking score and IMC docking mfScore, and adopted a conformation similar to that of known inhibitors. ( B ) Compound 3 had the ability to form key hydrophobic interaction with residues Leu126, Tyr177, Tyr183, and Leu171.

Article Snippet: Using the Molsoft ICM method (ICM-Pro 3.8 molecular docking software), we optimized the geometry of compound 3 and determined the binding site with the lowest-energy and the most favorable orientation of the compound.

Techniques: