bioactive small molecules Search Results


de novo design of bioactive small molecules by artificial intelligence  (Merck KGaA)
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Merck KGaA de novo design of bioactive small molecules by artificial intelligence
De Novo Design Of Bioactive Small Molecules By Artificial Intelligence, supplied by Merck KGaA, 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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bioactive microbe-derived small molecules  (Postbiotics Inc)
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Postbiotics Inc bioactive microbe-derived small molecules
Bioactive Microbe Derived Small Molecules, supplied by Postbiotics 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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small collections of bioactive molecules  (Broad Institute Inc)
90
Broad Institute Inc small collections of bioactive molecules
Small Collections Of Bioactive Molecules, supplied by Broad Institute 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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bioactive small molecule scm-198  (Cardiovascular Systems Inc)
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Cardiovascular Systems Inc bioactive small molecule scm-198
Bioactive Small Molecule Scm 198, supplied by Cardiovascular Systems 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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small bioactive molecules  (Bioactive Ingredients)
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Bioactive Ingredients small bioactive molecules
Small Bioactive Molecules, supplied by Bioactive Ingredients, 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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bioactive small molecule 3d structures  (Astex Inc)
90
Astex Inc bioactive small molecule 3d structures
Examples of several compounds selected from the Cambridge Structural Database representing often seen torsion angles . These molecules contain fragments demonstrated to be part of the most represented small <t>bioactive</t> molecules . The most preferred experimentally observed in CSD torsion angles τ and the torsion angles generated by DG-AMMOS and Balloon are given in deg. The energies are given in kcal.mol -1 .
Bioactive Small Molecule 3d Structures, supplied by Astex 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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bioactive small molecules  (DWK Life Sciences)
90
DWK Life Sciences bioactive small molecules
Examples of several compounds selected from the Cambridge Structural Database representing often seen torsion angles . These molecules contain fragments demonstrated to be part of the most represented small <t>bioactive</t> molecules . The most preferred experimentally observed in CSD torsion angles τ and the torsion angles generated by DG-AMMOS and Balloon are given in deg. The energies are given in kcal.mol -1 .
Bioactive Small Molecules, supplied by DWK 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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photothermal antimicrobial guar gum hydrogel cross-linked by bioactive small molecule lysine  (Zhiyuan Chemical Co Ltd)
90
Zhiyuan Chemical Co Ltd photothermal antimicrobial guar gum hydrogel cross-linked by bioactive small molecule lysine
Examples of several compounds selected from the Cambridge Structural Database representing often seen torsion angles . These molecules contain fragments demonstrated to be part of the most represented small <t>bioactive</t> molecules . The most preferred experimentally observed in CSD torsion angles τ and the torsion angles generated by DG-AMMOS and Balloon are given in deg. The energies are given in kcal.mol -1 .
Photothermal Antimicrobial Guar Gum Hydrogel Cross Linked By Bioactive Small Molecule Lysine, supplied by Zhiyuan Chemical Co Ltd, 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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bioactive small molecules  (AK Scientific)
90
AK Scientific bioactive small molecules
Examples of several compounds selected from the Cambridge Structural Database representing often seen torsion angles . These molecules contain fragments demonstrated to be part of the most represented small <t>bioactive</t> molecules . The most preferred experimentally observed in CSD torsion angles τ and the torsion angles generated by DG-AMMOS and Balloon are given in deg. The energies are given in kcal.mol -1 .
Bioactive Small Molecules, supplied by AK Scientific, 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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bioactive small molecules  (Syngenta)
90
Syngenta bioactive small molecules
Examples of several compounds selected from the Cambridge Structural Database representing often seen torsion angles . These molecules contain fragments demonstrated to be part of the most represented small <t>bioactive</t> molecules . The most preferred experimentally observed in CSD torsion angles τ and the torsion angles generated by DG-AMMOS and Balloon are given in deg. The energies are given in kcal.mol -1 .
Bioactive Small Molecules, supplied by Syngenta, 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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small molecule inhibitors/agonists  (Bioactive Ingredients)
90
Bioactive Ingredients small molecule inhibitors/agonists
Examples of several compounds selected from the Cambridge Structural Database representing often seen torsion angles . These molecules contain fragments demonstrated to be part of the most represented small <t>bioactive</t> molecules . The most preferred experimentally observed in CSD torsion angles τ and the torsion angles generated by DG-AMMOS and Balloon are given in deg. The energies are given in kcal.mol -1 .
Small Molecule Inhibitors/Agonists, supplied by Bioactive Ingredients, 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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Examples of several compounds selected from the Cambridge Structural Database representing often seen torsion angles . These molecules contain fragments demonstrated to be part of the most represented small bioactive molecules . The most preferred experimentally observed in CSD torsion angles τ and the torsion angles generated by DG-AMMOS and Balloon are given in deg. The energies are given in kcal.mol -1 .

Journal: BMC Chemical Biology

Article Title: DG-AMMOS: A New tool to generate 3D conformation of small molecules using D istance G eometry and A utomated M olecular M echanics O ptimization for in silico S creening

doi: 10.1186/1472-6769-9-6

Figure Lengend Snippet: Examples of several compounds selected from the Cambridge Structural Database representing often seen torsion angles . These molecules contain fragments demonstrated to be part of the most represented small bioactive molecules . The most preferred experimentally observed in CSD torsion angles τ and the torsion angles generated by DG-AMMOS and Balloon are given in deg. The energies are given in kcal.mol -1 .

Article Snippet: To ensure validation of the generation of bioactive small molecule 3D structures we performed computations over a set of 114 relevant compounds manually selected from the Original GOLD validation set of the Astex Dataset [ ].

Techniques: Generated