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|Interface||Graphical user interface|
|Restrictions to use||None|
|Operating system||Unix/Linux, Mac OS, Windows|
|License||GNU General Public License version 3.0|
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- person_outline Reinis Danne
Crystal structures of Lymphocytic choriomeningitis virus endonuclease domain complexed with diketo acid ligands
[…] of energy minimization followed by conjugate-gradient minimization, using the MMTK and Amber packages (Cornell et al., 1995; Hinsen, 2000; Lindorff-Larsen et al., 2010). Compounds were designed using BKChem v.0.13.0 (Kosata & Danne, 2010) and geometry-restrained using eLBOW (Moriarty et al., 2009). The Mol2 and PDB file formats of the ligands and receptor were converted to PDBQT format using UCSF […]
The crystal structure of alanine racemase from Streptococcus pneumoniae, a target for structure based drug design
[…] Representations of molecules were prepared using the programs PyMOL  and BKChem (http://bkchem.zirael.org/index.html). The sequence alignment was visualized using Jalview . The electrostatic potential of the AlrSP surface was calculated using the Adaptive Poisson-Boltzma […]
Open access and open source in chemistry
[…] Several proprietary drawing packages are widely used, but open source alternatives exist. For example, free chemical drawing tools that are in development include Bkchem , and JchemPaint . Sophisticated tools exist for viewing molecules in three dimensions conveniently in web pages, such as Jmol . A related product, MDLChime, is free to use but not open s […]
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