molecular docking software Search Results


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+software/pmc04456500-94-9-11?v=AUTODOCK+GmbH
Average 90 stars, based on 1 article reviews
4.0 suite molecular-docking tool - by Bioz Stars, 2026-07
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+software/pmc10790010-264-19-19?v=AUTODOCK+GmbH
Average 90 stars, based on 1 article reviews
molecular docking software - by Bioz Stars, 2026-07
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+software/pmc04872216-95-3-2?v=Molsoft+LLC
Average 90 stars, based on 1 article reviews
icm-pro 3.8 molecular docking software - by Bioz Stars, 2026-07
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+software/pmc10419121-110-10-17?v=OpenEye+Scientific+Software+Inc
Average 90 stars, based on 1 article reviews
molecular docking software - by Bioz Stars, 2026-07
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+software/pmc05418674__ncomms15274___s1-49-38-37?v=AUTODOCK+GmbH
Average 90 stars, based on 1 article reviews
vina molecular docking program - by Bioz Stars, 2026-07
90/100 stars
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molecular docking package fred  (OpenEye Scientific Software Inc)
90
OpenEye Scientific Software Inc molecular docking package fred
( 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 Package Fred, 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+software/pmc03531850-454-16-20?v=OpenEye+Scientific+Software+Inc
Average 90 stars, based on 1 article reviews
molecular docking package fred - by Bioz Stars, 2026-07
90/100 stars
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molecular docking software icm  (Molsoft LLC)
90
Molsoft LLC molecular docking software icm
( 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 Icm, 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+software/pm25117203-42-1-8?v=Molsoft+LLC
Average 90 stars, based on 1 article reviews
molecular docking software icm - by Bioz Stars, 2026-07
90/100 stars
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molecular docking software version 2.5  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular docking software version 2.5
( 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 Version 2.5, 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+software/pmc07225714-155-1-0?v=AUTODOCK+GmbH
Average 90 stars, based on 1 article reviews
molecular docking software version 2.5 - by Bioz Stars, 2026-07
90/100 stars
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pyrx autodock vina plugin  (AUTODOCK GmbH)
90
AUTODOCK GmbH pyrx autodock vina plugin
( 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.
Pyrx Autodock Vina Plugin, 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+software/10__1016_slash_j__rechem__2024__101750-130-10-11?v=AUTODOCK+GmbH
Average 90 stars, based on 1 article reviews
pyrx autodock vina plugin - by Bioz Stars, 2026-07
90/100 stars
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molecular modelling, docking, and protein threading software  (BioSolveIT GmbH)
90
BioSolveIT GmbH molecular modelling, docking, and protein threading 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 Modelling, Docking, And Protein Threading Software, supplied by BioSolveIT 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+software/10__1038_slash_428778a-5-55-64?v=BioSolveIT+GmbH
Average 90 stars, based on 1 article reviews
molecular modelling, docking, and protein threading software - by Bioz Stars, 2026-07
90/100 stars
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hybrid molecular docking program oedocking 3.4.0.2  (OpenEye Scientific Software Inc)
90
OpenEye Scientific Software Inc hybrid molecular docking program oedocking 3.4.0.2
( 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.
Hybrid Molecular Docking Program Oedocking 3.4.0.2, 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+software/pmc08698320-197-24-30?v=OpenEye+Scientific+Software+Inc
Average 90 stars, based on 1 article reviews
hybrid molecular docking program oedocking 3.4.0.2 - by Bioz Stars, 2026-07
90/100 stars
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molecular docking software 1.5.6  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular docking software 1.5.6
( 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 1.5.6, 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+software/pm37959791-7-2-1?v=AUTODOCK+GmbH
Average 90 stars, based on 1 article reviews
molecular docking software 1.5.6 - by Bioz Stars, 2026-07
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: