BioPharmics Surflex Platform 5.197 MultiOS
BioPharmics Surflex Platform is a comprehensive toolkit designed for drug discovery and molecular modeling. It contains detailed information about all computational procedures and options in each command line module. In addition, the program supports Linux (most popular variants), Windows and MacOS. All modules are multicore capable and significant speedups are observed with modern multicore laptops, workstations and HPC clusters.
Key Features
2D to 3D Conversion: Converts SMILES or....
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BioPharmics Surflex Platform is a comprehensive toolkit designed for drug discovery and molecular modeling. It contains detailed information about all computational procedures and options in each command line module. In addition, the program supports Linux (most popular variants), Windows and MacOS. All modules are multicore capable and significant speedups are observed with modern multicore laptops, workstations and HPC clusters.
Key Features
- 2D to 3D Conversion: Converts SMILES or SDF input data into 3D structures.
- Optical Detection: Identify and enumerate optical centers.
- Protonation: Adjust the protonation state of a molecule.
- Multi-Structure Generation: Generates a wide variety of molecular structures.
This module uses the MMFF94sf force field to infer structures, ensuring high accuracy. It is particularly good at handling macrocyclic ligands and can incorporate NMR restraints, which is important for peptide macrocyclics.
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