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Structured Review

BioSolveIT GmbH biosolveit flexx 2.0.3
Biosolveit Flexx 2.0.3, 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/flexx/biosolveit+flexx+2+0+3/pmc12195839-212-19-19
Average 90 stars, based on 1 article reviews
biosolveit flexx 2.0.3 - by Bioz Stars, 2026-09
90/100 stars

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Related Articles

Drug discovery:

Article Title: Decrypting a Cryptic Allosteric Pocket in H. pylori Glutamate Racemase
Article Snippet: .. Docking known actives and decoys ‘test’ compound library Two different docking programs where then used since each takes a different approach for ligand placement and for searching minimum energy confirmations: FlexX (part of LeadIT available from BioSolveIT GmbH) 51 – 52 and MOE 2016 38 . ..

other:

Article Title: Development of New Inhibitors of HDAC1-3 Enzymes Aided by In Silico Design Strategies.
Article Snippet: Histone deacetylases (HDACs) are overexpressed in cancer, and their inhibition shows promising results in cancer therapy.. In particular, selective class I HDAC inhibitors such as entinostat are proposed to be more beneficial in breast cancer treatment.. Computational drug design is an inevitable part of today’s drug discovery projects because of its unequivocal role in saving time and cost.

Article Title: Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods.
Article Snippet: Prioritizing molecules for synthesis is a key role of computational methods within medicinal chemistry.. Multiple tools exist for ranking molecules, from the cheap and popular molecular docking methods to more computationally expensive molecular-dynamics (MD)-based methods.. It is often questioned whether the accuracy of the more rigorous methods justifies the higher computational cost and associated calculation time.

Software:

Article Title: Insights into the computer-aided drug design and discovery based on anthraquinone scaffold for cancer treatment: A systematic review
Article Snippet: Surflex-Dock , Commercial software. A docking module in SYBYL software. Uses empirical scoring function by taking hydrophobic, polar, repulsive, entropic and solvated effects into consideration. The search engine is based on molecular similarity to dock ligands to target. Available in Normal, Screen, Geom and GenomX mode. , https://www.computabio.com/applications-of-surflex-dock-software.html , [ , , , ] . .. FlexX , Commercial software. An incremental fragment-based docking algorithm where the conformational space sampling is done using a tree search method. Provided by BioSolveIT in the LeadIT package. , https://www.biosolveit.de/products/#FlexX , [ , , ] . .. FRED , Free academic licensing program available. Uses exhaustive search algorithm that systematically searches conformers of each ligand within the active site at a specified resolution. Examples of scoring function are Chemgauss and Chemscore. Integrated in OpenEye Scientific Software. , https://www.eyesopen.com , [ , ] .

Article Title: Evaluation of the antidermatophytic activity of potassium salts of N -acylhydrazinecarbodithioates and their aminotriazole-thione derivatives
Article Snippet: .. Docking was performed using the FlexX, as implemented in the LeadIT software package (LeadIT version 2.3.2; BioSolveIT GmbH, Sankt Augustin, Germany, 2017). ..

Sampling:

Article Title: Insights into the computer-aided drug design and discovery based on anthraquinone scaffold for cancer treatment: A systematic review
Article Snippet: Surflex-Dock , Commercial software. A docking module in SYBYL software. Uses empirical scoring function by taking hydrophobic, polar, repulsive, entropic and solvated effects into consideration. The search engine is based on molecular similarity to dock ligands to target. Available in Normal, Screen, Geom and GenomX mode. , https://www.computabio.com/applications-of-surflex-dock-software.html , [ , , , ] . .. FlexX , Commercial software. An incremental fragment-based docking algorithm where the conformational space sampling is done using a tree search method. Provided by BioSolveIT in the LeadIT package. , https://www.biosolveit.de/products/#FlexX , [ , , ] . .. FRED , Free academic licensing program available. Uses exhaustive search algorithm that systematically searches conformers of each ligand within the active site at a specified resolution. Examples of scoring function are Chemgauss and Chemscore. Integrated in OpenEye Scientific Software. , https://www.eyesopen.com , [ , ] .



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