FAQs
For questions not addressed by a support solution here, please Contact Us. Please do include a description of the problem as well as your operating system and version.
What can we help you with?
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Which scoring function is best for general use?
… on the whole is the best performing scoring function for both pose prediction and virtual screening, and thus it is now the default scoring function in GOLD …
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Can I modify the scoring functions in GOLD?
… to perform the best overall for both pose prediction and virtual screening, and therefore is the scoring function selected by default. It is possible to alter …
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Has GOLD been validated?
… in the following publication: "Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test.", J. W. Liebeschuetz, et al., JCAMD …
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What is the difference between the GoldScore, ChemScore, ASP and ChemPLP scoring functions provided with GOLD?
… scoring functions for both pose prediction and virtual screening. This scoring function is the default for GOLD version 5.1 and later. …
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Is it possible to re-score a given set of GOLD solutions using an alternative scoring function?
… ) file(s), scoring function and output preferences must also all be specified. It is possible to rescore both GOLD docking poses & docking poses from other docking …
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Why is it not possible to return the crystallographic binding pose of the ligand?
… Although GOLD is usually highly effective at returning the crystallographically derived pose, there are a number of reasons why GOLD might not succeed …
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If I apply a distance or a scaffold constraint, will it always be obeyed?
… to reward poses that satisfy the constraint. The spring constant is set by the user when the constraint is set up. If a low spring constant is used …
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Does GOLD calculate or use atomic charges?
… . For further information, please refer to the GOLD documentation. Formal charges will be output to the saved protein.mol2 file and to the GOLD docking poses. …
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Is it possible to carry out consensus scoring with GOLD?
… It is possible to rescore poses generated by GOLD with any of five scoring functions (GoldScore, ASP, ChemScore, ChemScore RDS and ChemPLP). GoldMine databases …
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What is CSD-Theory?
… CSD-Theory brings clarity to your crystal structure prediction landscapes. Search, display and analyse your landscapes to spark new insights and advance your …
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