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LigBuilder

LigBuilder is a multiple-purposed program written for structure-based drug design procedure. Based on the three-dimensional structure of the target protein, it can automatically build ligand molecules within the binding pocket and subsequently screen them Find LigBuilder at: http://mdl.ipc.pku.edu.cn/drug_design/work/ligbuilder.html

Rating: 3.9. From 21 votes.
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EMBOSS

EMBOSS is “The European Molecular Biology Open Software Suite”. EMBOSS is a free Open Source software analysis package specially developed for the needs of the molecular biology (e.g. EMBnet) user community. The software automatically copes with data in a variety … Continue reading

Rating: 3.8. From 10 votes.
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SCORE

SCORE is an empirical method developed for estimating the binding affinity of protein-ligand complex with known three-dimensional structure. Find SCORE at: http://mdl.ipc.pku.edu.cn/drug_design/work/score.html

Rating: 3.8. From 5 votes.
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XLOGP

XLOGP is a method which can calculate the logP value for an organic compound from its topological structure Find XLOGP at: http://mdl.ipc.pku.edu.cn/drug_design/work/xlogp.html

Rating: 3.0. From 4 votes.
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RnaViz

RnaViz is a user-friendly, portable, GUI program for producing publication-quality secondary structure drawings of RNA molecules. Drawings can be created starting from DCSE alignment files if they incorporate structure information or from mfold ct files. The layout of a structure … Continue reading

Rating: 3.0. From 4 votes.
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ScrumPy

A package of Python modules that allows you to do metabolic modelling. Find ScrumPy at: http://mudshark.brookes.ac.uk/ScrumPy

Rating: 2.7. From 6 votes.
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Posted in Biochemistry | Leave a comment