molecular docking Search Results


well plates  (MedChemExpress)
91
MedChemExpress well plates
Well Plates, supplied by MedChemExpress, used in various techniques. Bioz Stars score: 91/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/molecular+docking/BAG3+Antibody/pm37523636-73-9-31
Average 91 stars, based on 1 article reviews
well plates - by Bioz Stars, 2026-09
91/100 stars
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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/product/molecular+docking/4+2+molecular+docking+software/pmc04456500-94-9-11
Average 90 stars, based on 1 article reviews
4.0 suite molecular-docking tool - by Bioz Stars, 2026-09
90/100 stars
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molecular docking software  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular docking software
Molecular Docking Software, 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/product/molecular+docking/molecular+docking+software/pmc10790010-264-19-19
Average 90 stars, based on 1 article reviews
molecular docking software - by Bioz Stars, 2026-09
90/100 stars
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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
https://www.bioz.com/product/molecular+docking/molecular+docking+s4/pm34549933__ac1c02565_si_001-58-0-3
Average 90 stars, based on 1 article reviews
molecular docking s5 - by Bioz Stars, 2026-09
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/product/molecular+docking/icm+pro+3+6+1d+molecular+docking+software/pmc04872216-95-3-2
Average 90 stars, based on 1 article reviews
icm-pro 3.8 molecular docking software - by Bioz Stars, 2026-09
90/100 stars
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molecular docking software  (OpenEye Scientific Software Inc)
90
OpenEye Scientific Software Inc 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.
Molecular Docking Software, supplied by OpenEye Scientific Software 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/product/molecular+docking/molecular+docking+software/pmc10419121-110-10-17
Average 90 stars, based on 1 article reviews
molecular docking software - by Bioz Stars, 2026-09
90/100 stars
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molecular docking  (AUTODOCK GmbH)
90
AUTODOCK GmbH 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 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/product/molecular+docking/molecular+docking/pm31687816-40-12-14
Average 90 stars, based on 1 article reviews
molecular docking - by Bioz Stars, 2026-09
90/100 stars
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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
https://www.bioz.com/product/molecular+docking/vina+molecular+docking+software/pmc05418674__ncomms15274___s1-49-38-37
Average 90 stars, based on 1 article reviews
vina molecular docking program - by Bioz Stars, 2026-09
90/100 stars
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molecular docking calculations  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular docking calculations
( 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 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
https://www.bioz.com/product/molecular+docking/molecular+docking+calculations/pmc05712779-39-1-7
Average 90 stars, based on 1 article reviews
molecular docking calculations - by Bioz Stars, 2026-09
90/100 stars
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molecular docking experiments  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular docking experiments
( 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 Experiments, 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/product/molecular+docking/molecular+docking+experiments/bio_rxiv__2025__07__15__665023-177-5-8
Average 90 stars, based on 1 article reviews
molecular docking experiments - by Bioz Stars, 2026-09
90/100 stars
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molecular docking results  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular docking results
( 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 Results, 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/product/molecular+docking/molecular+docking+results/pmc11185263-136-1-6
Average 90 stars, based on 1 article reviews
molecular docking results - by Bioz Stars, 2026-09
90/100 stars
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molecular docking  (Molegro ApS)
90
Molegro ApS 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 Molegro ApS, 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/product/molecular+docking/molecular+docking/pmc07494395-72-6-10
Average 90 stars, based on 1 article reviews
molecular docking - by Bioz Stars, 2026-09
90/100 stars
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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: