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BioSolveIT GmbH flexx suit43 of leadit 2.3.2 software
Flexx Suit43 Of Leadit 2.3.2 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/flexx+software/flexx+suit43+of+leadit+2+3+2+software/pm37872243-187-5-16
Average 90 stars, based on 1 article reviews
flexx suit43 of leadit 2.3.2 software - by Bioz Stars, 2026-10
90/100 stars

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Related Articles

Software:

Article Title: Prodigiosin production from Serratia marcescens strain CSK and their antioxidant, antibacterial, cytotoxic effect and in silico study of caspase-3 apoptotic protein.
Article Snippet: Funding information DST-FIST,Grant/AwardNumber: SR/FIST/College-232/2014 Abstract The present study emphasizes the production and optimization of prodigiosin (PG) pigment from Serratiamarcescens strain CSK, whichwas isolated from Shevaroy Hills, Salem district, Tamil Nadu, India.. The response surface methodology analysis was applied for the optimization process of PG production.. The maximum production of PG (2950 mg/L) was obtained at pH 7.0 with the addition of tryptophan (4.0 g/L) and sucrose (3.0 g/L) with 60 h of incubation.

Article Title: An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity.
Article Snippet: .. Our protocol combines three robust molecular modeling methodologies: (1) high-throughput docking of virtual compounds libraries with BioSolveIT’s FlexX software version 3.0.2 applied on an ensemble of conformations generated by Molecular Dynamic (MD) simulations with CHARMM; (2) a dynamic pharmacophorebased hit selection with Tripos’s Unity software; in order to eliminate irrelevant docking poses and enforce the selection of ligands interacting with key residues within the catalytic pocket of MIF and; (3) a standalone docking with the latest Surflex (version 2.4) software using the geomX option that takes into account ligand flexibility during molecular docking. ..

Article Title: Ligand-specific binding and activation of the human adenosine A(2B) receptor.
Article Snippet: Subscriber access provided by NORTH CAROLINA STATE UNIV Biochemistry is published by the American Chemical Society.. 1155 Sixteenth Street N.W., Washington, DC 20036 Published by American Chemical Society.. Copyright © American Chemical Society.

Article Title: Synthesis of new arylpiperazinylalkylthiobenzimidazole, benzothiazole, or benzoxazole derivatives as potent and selective 5-HT1A serotonin receptor ligands.
Article Snippet: A series of new compounds containing a benzimidazole, benzothiazole, or benzoxazole nucleus linked to an arylpiperazine by different thioalkyl chains was prepared.. They were tested in radioligand binding experiments to evaluate their affinity for 5-HT1A and 5-HT2A serotonergic, R1 adrenergic, D1, and D2 dopaminergic receptors.. Many of tested compounds showed an interesting binding profile; in particular, 36 displayed very high 5-HT1A receptor affinity and selectivity over all the other investigated receptors.

Article Title: Ligand-protein docking studies of potential HIV-1 drug compounds using the algorithm FlexX.
Article Snippet: Four compounds are docked to a pentameric bundle representing the transmembrane part of the Vpu protein from HIV-1.. Employing the docking algorithm FlexX, their free energy of binding is estimated leading to the conclusion that potential drug candidates need to form H-bonds either with neighbouring or with n+2 helices at the site of the serines within the bundle.

Article Title: Mutational analysis in international isolates and drug repurposing against SARS-CoV-2 spike protein: molecular docking and simulation approach
Article Snippet: .. All energetically minimized molecules were subjected to docking with SARS-CoV-2 RBD protein using FlexX software [ https://www.biosolveit.de/FlexX/ ]. ..

Generated:

Article Title: An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity.
Article Snippet: .. Our protocol combines three robust molecular modeling methodologies: (1) high-throughput docking of virtual compounds libraries with BioSolveIT’s FlexX software version 3.0.2 applied on an ensemble of conformations generated by Molecular Dynamic (MD) simulations with CHARMM; (2) a dynamic pharmacophorebased hit selection with Tripos’s Unity software; in order to eliminate irrelevant docking poses and enforce the selection of ligands interacting with key residues within the catalytic pocket of MIF and; (3) a standalone docking with the latest Surflex (version 2.4) software using the geomX option that takes into account ligand flexibility during molecular docking. ..

Selection:

Article Title: An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity.
Article Snippet: .. Our protocol combines three robust molecular modeling methodologies: (1) high-throughput docking of virtual compounds libraries with BioSolveIT’s FlexX software version 3.0.2 applied on an ensemble of conformations generated by Molecular Dynamic (MD) simulations with CHARMM; (2) a dynamic pharmacophorebased hit selection with Tripos’s Unity software; in order to eliminate irrelevant docking poses and enforce the selection of ligands interacting with key residues within the catalytic pocket of MIF and; (3) a standalone docking with the latest Surflex (version 2.4) software using the geomX option that takes into account ligand flexibility during molecular docking. ..

Binding Assay:

Article Title: Ligand-specific binding and activation of the human adenosine A(2B) receptor.
Article Snippet: Subscriber access provided by NORTH CAROLINA STATE UNIV Biochemistry is published by the American Chemical Society.. 1155 Sixteenth Street N.W., Washington, DC 20036 Published by American Chemical Society.. Copyright © American Chemical Society.

other:

Article Title: Virtual high throughput screening of carbapenem derivatives as new generation carbapenemase and penicillin binding protein inhibitors: a hunt to save drug of last resort.
Article Snippet: The advent of carbapenem resistance by the production of β-lectamases and mutated penicillin binding proteins (PBPs) has challenged the treatment of Enterobacteriaceae.. Hence there is an urgent need to establish drugs that can fit in the pipeline by overcoming those situations.. The working hypothesis of the work is based on two facts, i.e., i) design of inhibitors against mutated PBPs to which present drugs cannot bind efficiently to kill pathogen by inhibiting cell wall formation, ii) design of molecules that can bind with β-lectamases with high affinity, so that they can supplement available drugs preventing their unwanted hydrolysis.



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