Review




Structured Review

OpenEye Scientific Software Inc oedocking openeye toolkit 2020.2.0
Oedocking Openeye Toolkit 2020.2.0, 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/oedocking+toolkit/openeye+toolkits+2020+1+0/pm34008218-103-0-1
Average 90 stars, based on 1 article reviews
oedocking openeye toolkit 2020.2.0 - by Bioz Stars, 2026-11
90/100 stars

Images

Related Articles

other:

Article Title: Searching for Novel HDAC6/Hsp90 Dual Inhibitors with Anti-Prostate Cancer Activity: In Silico Screening and In Vitro Evaluation.
Article Snippet: Subsequently, the molecules underwent a further step of filtration by using the OpenEye Toolkits 2020.1.0 [66], retaining only those bearing at least one substructure among the ZBGs and D93-binding groups previously identified.

Article Title: Exploring an Intracellular Allosteric Site of CC-Chemokine Receptor 4 from 3D Models, Probe Simulations, and Mutagenesis.
Article Snippet: 2024, 34 (4), 323−326. (42) OpenEye Toolkits 2020.1.0 OpenEye Scientific Software, Santa Fe, http://www.eyesopen.com. (43) Best, R. B.; Zhu, X.; Shim, J.; Lopes, P. E. M.; Mittal, J.; Feig, M.; MacKerell, A. D. Optimization of the Additive CHARMM AllAtom Protein Force Field Targeting Improved Sampling of the Backbone φ, ψ and Side-Chain Χ1 and Χ2 Dihedral Angles.

Article Title: Benchmarking Cross-Docking Strategies in Kinase Drug Discovery
Article Snippet: Posit was not included since the used OpenEye Toolkits (2021.1.1) version did not support the generation of multiple poses.

Article Title: Benchmarking Cross-Docking Strategies in Kinase Drug Discovery.
Article Snippet: U.S.A. 2018, 115 (51), E11894−E11903, DOI: 10.1073/pnas.1811158115. (35) OpenEye Toolkits 2021.1.1, OpenEye Scientific Software, Santa Fe, NM. http://www.eyesopen.com. (36) Hare, B. J.; Walters, W. P.; Caron, P. R.; Bemis, G. W. CORES: An Automated Method for Generating Three-Dimensional Models of Protein/Ligand Complexes.

Article Title: Searching for Novel HDAC6/Hsp90 Dual Inhibitors with Anti-Prostate Cancer Activity: In Silico Screening and In Vitro Evaluation
Article Snippet: Subsequently, the molecules underwent a further step of filtration by using the OpenEye Toolkits 2020.1.0 [ ], retaining only those bearing at least one substructure among the ZBGs and D93-binding groups previously identified.

Article Title: Active Learning Guided Drug Design Lead Optimization Based on Relative Binding Free Energy Modeling.
Article Snippet: 1996, 39, 2887−2893. (19) OpenEye Toolkits 2021.2.0 OpenEye Scientific Software, Santa Fe, NM. http://www.eyesopen.com (20) OMEGA 4.1.0.0: OpenEye Scientific Software, Santa Fe, NM. http://www.eyesopen.com (21) Make Receptor 4.0.0.0: OpenEye Scientific Software, Inc., Santa Fe, NM. http://www.eyesopen.com (22) McGann, M. FRED and HYBRID Docking Performance on Standardized Datasets.

Article Title: Exploring Biological Targets of Magnolol and Honokiol and their Nature-Inspired Synthetic Derivatives: In Silico Identification and Experimental Validation of Estrogen Receptors.
Article Snippet: In this work, we describe the results of a computational investigation aimed at identifying potential biological targets of honokiol, magnolol and a series of synthetic prodrug derivatives obtained through esterification of the free hydroxyl groups.. The ligand-based and structure-based analyses revealed that these compounds potentially interact with several biological targets, some of which are known while others are new.. Honokiol, magnolol, and three of the newly synthesized derivatives may bind to estrogen receptors ERα and ERβ.

Binding Assay:

Article Title: Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach.
Article Snippet: In Exploring Network Structure, Dynamics, and Function Using NetworkX, Proceedings of the 7th Python in Science Conference, Pasadena, CA, 2008; pp 11−15. (69) Jordan, J. https://gist.github.com/joe-jordan/6548029 (Oct 20, 2022). (70) OpenEye. .. OpenEye Toolkits 2021; OpenEye Scientific Software: Santa Fe, NM, 2021. http://www.eyesopen.com. (71) Cournia, Z.; Allen, B.; Sherman, W. Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations. ..

Drug discovery:

Article Title: Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach.
Article Snippet: In Exploring Network Structure, Dynamics, and Function Using NetworkX, Proceedings of the 7th Python in Science Conference, Pasadena, CA, 2008; pp 11−15. (69) Jordan, J. https://gist.github.com/joe-jordan/6548029 (Oct 20, 2022). (70) OpenEye. .. OpenEye Toolkits 2021; OpenEye Scientific Software: Santa Fe, NM, 2021. http://www.eyesopen.com. (71) Cournia, Z.; Allen, B.; Sherman, W. Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations. ..



Similar Products

90
OpenEye Scientific Software Inc oedocking toolkit
Oedocking Toolkit, 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/oedocking+toolkit/oedocking+module/pmc11997991__jm4c02845_si_001-306-16-19
Average 90 stars, based on 1 article reviews
oedocking toolkit - by Bioz Stars, 2026-11
90/100 stars
  Buy from Supplier

90
OpenEye Scientific Software Inc oedocking toolkit version 4.0.01
Oedocking Toolkit Version 4.0.01, 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/oedocking+toolkit/oedocking+module/pmc10900287-285-10-12
Average 90 stars, based on 1 article reviews
oedocking toolkit version 4.0.01 - by Bioz Stars, 2026-11
90/100 stars
  Buy from Supplier

90
OpenEye Scientific Software Inc oedocking openeye toolkit 2020.2.0
Oedocking Openeye Toolkit 2020.2.0, 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/oedocking+toolkit/openeye+toolkits+2020+1+0/pm34008218-103-0-1
Average 90 stars, based on 1 article reviews
oedocking openeye toolkit 2020.2.0 - by Bioz Stars, 2026-11
90/100 stars
  Buy from Supplier

Image Search Results