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fconv specifications

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Unique identifier OMICS_15104
Name fconv
Software type Application/Script
Interface Command line interface
Restrictions to use None
Input format PDB, MOL2, SDF, DLG, CIF
Output format PDB, MOL2, SDF, DLG, CIF
Operating system Unix/Linux, Mac OS, Windows
Programming languages C++
License GNU General Public License version 3.0
Computer skills Advanced
Stability Stable
Maintained No

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Publication for fconv

fconv citations

 (2)
library_books

Electrostatic Similarities between Protein and Small Molecule Ligands Facilitate the Design of Protein Protein Interaction Inhibitors

2013
PLoS One
PMCID: 3794991
PMID: 24130741
DOI: 10.1371/journal.pone.0075762

[…] place the active ligands in binding modes almost identical to those determined crystallographically (RMSD less than 1 or 2 Å, ). The higher even corresponds to binding modes that are closer in RMSD (Fconv was used to compute RMSD for small molecules) to the experimentally determined poses. Similarly, the decoy compounds were docked within the right binding pocket making similar contacts with the […]

library_books

Effect of the Environmental Stimuli upon the Human Body in Winter Outdoor Thermal Environment

2013
PMCID: 3703714
PMID: 23861691
DOI: 10.1155/2013/418742

[…] ce as well as the discrete effect of each meteorological element is possible on the same evaluation axis.Consider (1)ETFe=Ta+TVFhtahfL+ERFhtaLhfL+ECFhtahfL +EHFETFehfL+ERFhtaShfL, (2)TVFhta=(hofclFclofconv−hcfcl Fcl fconv)(ts−ta), (3)ERFhtaL=hrLfcl Fcl frad(trL−ta), (4)ECFhta=hdFcld fcond(tf−ta), (5)EHFETFe=Lwhcfcl Fpcl(pa−0.5pETFe∗), (6)ERFhtaS=Rs, (7)hfL=hofcl Fclo fconv+hrLfcl Fcl frad+hdFcld f […]


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fconv institution(s)
Department of Pharmaceutical Chemistry, Philipps-Universität Marburg, Germany

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