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PyRx

PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual ...

Price: FREE / Freeware

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Open3DQSAR

... from within Open3DQSAR · User-friendly interface to Molecular Discovery GRID to compute GRID MIFs from within Open3DQSAR ...

Price: FREE / Open Source

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Open3DQSAR x64

... from within Open3DQSAR · User-friendly interface to Molecular Discovery GRID to compute GRID MIFs from within Open3DQSAR ...

Price: FREE / Open Source

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LigandScout

LigandScout is a fully integrated platform for accurate virtual screening based on 3D chemical feature pharmacophore models. It offers seamless workflows, ...

Price: FREE / Trialware

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JChem Suite

... in their work. Whether you are involved in drug discovery, materials science, or any other field of chemistry, ...

Price: FREE / Demo

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Open3DGRID

Open3DGRID is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID can generate steric potential, electron density ...

Price: FREE / Open Source

Open3DGRID innovative interaction molecular interaction field generate MIF software modeling molecule field review Paolo Tosco grid-based molecular interaction

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Open3DGRID x64

Open3DGRID x64 is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID x64 can generate steric potential, ...

Price: FREE / Open Source

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Open3DALIGN

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of ...

Price: FREE / Freeware