BCL statistics

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BCL specifications

Information


Unique identifier OMICS_19372
Name BCL
Alternative name BioChemical Library
Software type Toolkit/Suite
Interface Command line interface
Restrictions to use Academic or non-commercial use
Operating system Unix/Linux, Mac OS, Windows
Programming languages C++
Computer skills Advanced
Stability Stable
Maintained Yes

Subtools


  • BCL::Fold
  • JUFO

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Maintainer


  • person_outline Jens Meiler <>

Publication for BioChemical Library

BCL in publications

 (5)
PMCID: 5603845
PMID: 28766915
DOI: 10.1002/cam4.1109

[…] altered metabolites. furthermore, in contrast to both studies, our analysis, through the utilization of an unbiased global biochemical profiling lc/ms and gc/ms based platform employing a biochemical library of greater than 2000 known biochemicals, resulted in the detection of hundreds of significantly altered metabolites that are consistent with the cancer phenotype reported […]

PMCID: 5494639
PMID: 28691114
DOI: 10.1021/acsomega.7b00349

[…] focus the sampling on conformations that are in agreement with the experimental data., the computational protein structure prediction pipeline employed in this article is based on the de novo method bcl::fold, which was specifically developed to predict the tertiary structure of large proteins. to facilitate this objective, the secondary structure elements (sses) of the protein are predicted […]

PMCID: 4514752
PMID: 26207742
DOI: 10.1371/journal.pone.0132508

[…] van der waals (vdw) volume and surface area, and girth. girth is computed as the longest distance between any pair of atoms in the small molecule. all ligand descriptors were computed using the biochemical library (bcl). additionally plots the distribution of several protein/ligand pair descriptors using the native experimental structure. specifically, the ratio of rosetta binding energy […]

PMCID: 4277370
PMID: 25541698
DOI: 10.1371/journal.pone.0115870

[…] increased number of named compounds measured in cohort 2, relative to cohort 1, in part, reflects the greater sensitivity of the accurate mass ms instrument used for cohort 2 and an expansion of the biochemical library in the time period between profiling cohorts 1 and 2. a wilcoxon two sample test was employed to identify statistically significant differences in metabolite levels in cohort 1 […]

PMCID: 3695863
PMID: 23840735
DOI: 10.1371/journal.pone.0067536

[…] oxygen atoms within 3.0 å of at least one protein and one ligand atom. ‘tight waters’ have oxygen atoms within 3.0 å of at least 2 protein and two ligand atoms. finally for each ligand we used the biochemical library (bcl), to determine logp, molecular weight, number of rotatable bonds, number of hydrogen bond acceptors, and number of hydrogen bond donors. bcl is a cheminformatics software […]


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BCL institution(s)
Department of Biomedical Informatics, Vanderbilt University Medical Center, Nashville, TN, USA; Department of Chemistry, Center for Structural Biology, Vanderbilt University, Nashville, TN, USA
BCL funding source(s)
Supported through the National Institutes of Health (National Institute of General Medical Sciences R01 GM080403; and by Public Health Service award T32 GM07347 from the National Institute of General Medical Studies for the Vanderbilt Medical-Scientist Training Program.

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