leadit 2.1.2 software Search Results


90
BioSolveIT GmbH leadit 2.1.2
Docking results using <t> Leadit </t> 2.1.2
Leadit 2.1.2, 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/leadit+2%2E1%2E2+software/pmc04539092-61-18-25?v=BioSolveIT+GmbH
Average 90 stars, based on 1 article reviews
leadit 2.1.2 - by Bioz Stars, 2026-08
90/100 stars
  Buy from Supplier

90
BioSolveIT GmbH leadit 2.1.2 software
Docking Results, lipophilic contribution, clash penalties of all compounds on COX-2 with <t> Leadit </t> 2.1.2 software.
Leadit 2.1.2 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/leadit+2%2E1%2E2+software/pmc05843300-187-1-8?v=BioSolveIT+GmbH
Average 90 stars, based on 1 article reviews
leadit 2.1.2 software - by Bioz Stars, 2026-08
90/100 stars
  Buy from Supplier

90
OpenEye Scientific Software Inc quacpac v.1.7.0.2 software
Docking Results, lipophilic contribution, clash penalties of all compounds on COX-2 with <t> Leadit </t> 2.1.2 software.
Quacpac V.1.7.0.2 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/leadit+2%2E1%2E2+software/pmc07697925-5-14-18?v=OpenEye+Scientific+Software+Inc
Average 90 stars, based on 1 article reviews
quacpac v.1.7.0.2 software - by Bioz Stars, 2026-08
90/100 stars
  Buy from Supplier

90
OpenEye Scientific Software Inc omega v.3.0.0.1 software
Docking Results, lipophilic contribution, clash penalties of all compounds on COX-2 with <t> Leadit </t> 2.1.2 software.
Omega V.3.0.0.1 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/leadit+2%2E1%2E2+software/pmc07697925-5-6-10?v=OpenEye+Scientific+Software+Inc
Average 90 stars, based on 1 article reviews
omega v.3.0.0.1 software - by Bioz Stars, 2026-08
90/100 stars
  Buy from Supplier

90
OpenEye Scientific Software Inc oedocking suite v.3.2.0
Docking Results, lipophilic contribution, clash penalties of all compounds on COX-2 with <t> Leadit </t> 2.1.2 software.
Oedocking Suite V.3.2.0, 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/leadit+2%2E1%2E2+software/pmc07697925-5-22-26?v=OpenEye+Scientific+Software+Inc
Average 90 stars, based on 1 article reviews
oedocking suite v.3.2.0 - by Bioz Stars, 2026-08
90/100 stars
  Buy from Supplier

90
AUTODOCK GmbH pyrx suite open-source software version 0.9.7
Docking Results, lipophilic contribution, clash penalties of all compounds on COX-2 with <t> Leadit </t> 2.1.2 software.
Pyrx Suite Open Source Software Version 0.9.7, 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/leadit+2%2E1%2E2+software/pmc07697925-5-134-134?v=AUTODOCK+GmbH
Average 90 stars, based on 1 article reviews
pyrx suite open-source software version 0.9.7 - by Bioz Stars, 2026-08
90/100 stars
  Buy from Supplier

90
AUTODOCK GmbH autodock vina program
Tools and procedures applicable to the in silico/computational antifungal drug repurposing.
Autodock Vina 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/leadit+2%2E1%2E2+software/pmc07697925-5-137-143?v=AUTODOCK+GmbH
Average 90 stars, based on 1 article reviews
autodock vina program - by Bioz Stars, 2026-08
90/100 stars
  Buy from Supplier

Image Search Results


Docking results using  Leadit  2.1.2

Journal: Drug Design, Development and Therapy

Article Title: Stepwise design, synthesis, and in vitro antifungal screening of ( Z )-substituted-propenoic acid derivatives with potent broad-spectrum antifungal activity

doi: 10.2147/DDDT.S84178

Figure Lengend Snippet: Docking results using Leadit 2.1.2

Article Snippet: Molecular Operating Environment (MOE) 2014.09 package license was purchased from Chemical Computing Group Inc, Montreal, QC, Canada and Leadit 2.1.2 software license was purchased from BioSolveIT GmbH, Sankt Augustin, Germany.

Techniques:

Docking Results, lipophilic contribution, clash penalties of all compounds on COX-2 with  Leadit  2.1.2 software.

Journal: Iranian Journal of Pharmaceutical Research : IJPR

Article Title: Microwave Assisted Synthesis, Pharmacological Activities, and Molecular Docking Studies of Ethyl 2-[2-Substituted-4-(Thiophenyl) Thiazolyl] Acetates

doi:

Figure Lengend Snippet: Docking Results, lipophilic contribution, clash penalties of all compounds on COX-2 with Leadit 2.1.2 software.

Article Snippet: The Leadit 2.1.2 software license was purchased from BioSolveIT GmbH, Germany. ( ).

Techniques: Software

Tools and procedures applicable to the in silico/computational antifungal drug repurposing.

Journal: Antibiotics

Article Title: Antifungal Drug Repurposing

doi: 10.3390/antibiotics9110812

Figure Lengend Snippet: Tools and procedures applicable to the in silico/computational antifungal drug repurposing.

Article Snippet: Ligand preparation and Molecular docking , OMEGA v.3.0.0.1 software by OpenEye Scientific [ ]; QUACPAC v.1.7.0.2 software by OpenEye Scientific [ ]; OEDocking suite v.3.2.0 by OpenEye Scientific [ ]; FRED program with the ChemGauss4 score function in the OEDocking suite , Protein Preparation Wizard of Schrodinger’s suite 8.5 (Chimeric 1EA1); Docking between internal ligand (fluconazole) and 1EA1 in Schrodinger’s suite 8.5; GROMACS 5.0 for molecular dynamics simulations with GROMOS9643a1 force field; LIGPREP and MAESTRO (fluvastatin 3D structure); MATLAB version R2015b (plotting and calculations); Dundee Prodrug 2.5; GLIDE 5.0 , MOE 2014.09 (Chemical Computing Group Inc., Sherbooke St, Montreal, QC, Canada) software; Leadit 2.1.2 (BioSolveIT GmbH, Germany) software; Gromacs 4.5.5 (Molecular dynamics); PRODRG2 and GROMOS 53A6 force field (Topology); Particle Mesh Ewald (PME) method and linear constraint solver (LINCS); Xmgrace and VMD software , AutoDock Vina program; PyRx suite open-source software version 0.9.7; AutoDock Vina program; Discovery Studio Visualizer version 17.2.0 (Dassault Systemes Biovia Corp.) , Scaffold Hunter program ( http://scaffoldhunter.sourceforge.net/ ) (selection of top ten best compounds from each database); GOLD software (docking simulation against Candida albicans thioredoxin reductase); CORINA (three-dimensional models); Visual Molecular Dynamics (VMD) program ( http://www.ks.uiuc.edu/Research/vmd/ ); LigPlot program ( https://www.ebi.ac.uk/thornton-srv/software/LIGPLOT/ ) , Protein preparation wizard ( C. albicans CYP51 ); LigPrep module of the Schrodinger suite (sertraline); Schrodinger suite (LLC, New York, NY) (induced fit molecular docking analysis); Glide module (extra precision feature for sertraline).

Techniques: Biomarker Discovery, Selection, Software, Modification, Bioassay, MTT Microdilution Assay