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SAL- Other Scientific Fields - Chemistry, Biology & Related - XLOGP/PLOGP
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XLOGP/PLOGP

Partition coefficient in octanol/water (logP) has long been used to parameterizing the hydrophobicity character in QSAR studies. XLOGP is a method which can calculate the logP value for an organic compound from its topological structure. The algorithm is based on the summation of atomic contributions and correction factors.

PLOGP is a program to calculate and evaluate the hydrophobicity properties of peptides. This program includes two parts. The first part, plogp, calculates the 1-octonal/water partition coefficients of short peptides. The second part, mlp, can produce a SYBYL readable file which contains the spatial distribution information of the Molecular Lipophilicity Potential (MLP) of a given protein (in PDB file).To give the partition coefficients (logP and logD), plogp sums the contribution of each component amino acid (residue) and correction factors.

Current Version:   ??

License Type:   Free

Home Site:
http://mdl.ipc.pku.edu.cn/drug_design/work/xlogp.html
http://mdl.ipc.pku.edu.cn/drug_design/plogp/PLOGP_User_Guide.html

Source Code Availability:   Yes

Available Binary Packages:

  • Debian Package:   No
  • RedHat RPM Package:   No
  • Other Packages:   No

Targeted Platforms:

UNIX

Software/Hardware Requirements:

??

Other Links:
ftp://ftp.ipc.pku.edu.cn/pub/software/xlogp/
ftp://ftp.ipc.pku.edu.cn/pub/software/plogp/

Mailing Lists/USENET News Groups:

None

User Comments:

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