I build pharmacophore from Molecular Dynamic Result, ut, while I try to do that. the result can't generate the pharmacophore mapping.
i would be very grateful if you could let me know how to fix that problem.
#pharmacophore #structurebasedesign #biovia #discoverystudio
Intan Putri The process of building a model that captures the fundamental properties of a chemical substance that are responsible for its biological action is known as pharmacophore modeling. The "Pharmacophore Generation" module in Discovery Studio may be used to do pharmacophore modeling.
There might be numerous reasons why the pharmacophore-generating module in Discovery Studio cannot produce the pharmacophore mappings to the ligand. Here are some possible solutions to the problem:
1. Examine the input data: Ascertain that the ligand structure used as input is valid and appropriately formatted. To guarantee that the ligand is appropriately identified by the module, you may need to alter the input choices or parameters.
2. Examine the output settings: To build pharmacophore maps, ensure that the output parameters are appropriately specified. You may need to select the map type (e.g., 2D or 3D) as well as the level of detail.
3. Examine the following pharmacophore generation parameters: The pharmacophore generation module contains a variety of settings that may be adjusted to affect the module's behavior. If the default parameters do not produce the desired results, you may need to experiment with alternative parameter settings to discover a combination that works better for your ligand.
4. Check for error messages: If the pharmacophore generation module fails to generate a result, there may be errors or warning messages in the log that might help you figure out what's wrong. The log may be seen by selecting the "Log" tab in the pharmacophore creation module.
I hope this was helpful! Please let me know if you have any queries or require any other support.
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