MM-ISMSA statistics

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MM-ISMSA specifications

Information


Unique identifier OMICS_08210
Name MM-ISMSA
Software type Package/Module
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Medium
Stability Stable
Maintained No

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Publication for MM-ISMSA

MM-ISMSA in publications

 (2)
PMCID: 5844890
PMID: 29523799
DOI: 10.1038/s41598-018-22382-x

[…] of binding along the md trajectory (which was generated to improve the sampling of the ligand around the crystallographically determined positions of the protein) was carried out by means of program mm-ismsa. this approach takes into account not only van der waals and electrostatic interactions but also ligand and receptor desolvation. as shown in fig. , the most important residue […]

PMCID: 4301871
PMID: 25607641
DOI: 10.1371/journal.pone.0113828

[…] in vacuum using the amber ff10 force field []. the quality of the models was evaluated using procheck []. the hydrogen bond interactions in the protein-ligand interfaces were evaluated with the mm-ismsa software [] considering that the distance between the hydrogen and acceptor atoms is within 1.5 å and 2.4 å, the angle between donor, hydrogen, and acceptor atoms varies within 130º […]


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MM-ISMSA institution(s)
Unidad de Bioinformática, Centro de Biología Molecular Severo Ochoa (CSIC-UAM), Campus de Cantoblanco UAM, Madrid, Spain

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