MEPSA 1.4 – Minimum Energy Pathway Analysis for Energy Landscapes

MEPSA 1.4

:: DESCRIPTION

MEPSA is a cross-platform user friendly tool for the analysis of energy landscapes from a transition state theory perspective.

::DEVELOPER

Molecular Modelling Group

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux / Windows / MacOsX
  • Python

:: DOWNLOAD

 MEPSA

:: MORE INFORMATION

Citation

MEPSA: minimum energy pathway analysis for energy landscapes.
Marcos-Alcalde I, Setoain J, Mendieta-Moreno JI, Mendieta J, Gómez-Puertas P.
Bioinformatics. 2015 Jul 31. pii: btv453.

RNAenn – Energy Parameters and novel algorithms for Extended nearest Neighbor Energy Model of RNA

RNAenn

:: DESCRIPTION

RNAenn computes the partition function and minimum free energy secondary structure for RNA with respect to an extended nearest neighbor energy model.

::DEVELOPER

Clote Lab

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux
  • C Compiler

:: DOWNLOAD

 RNAenn

:: MORE INFORMATION

Citation

Energy parameters and novel algorithms for an extended nearest neighbor energy model of RNA.
Dotu I, Mechery V, Clote P.
PLoS One. 2014 Feb 21;9(2):e85412. doi: 10.1371/journal.pone.0085412.

BEESEM – Binding Energy Estimation on SELEX with Expectation Maximization

BEESEM

:: DESCRIPTION

The BEESEM program is designed for transcription factor binding motif discovery using HT-SELEX data.

::DEVELOPER

Stormo Lab in Department of Genetics, Washington University

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux
  • Python

:: DOWNLOAD

BEESEM

:: MORE INFORMATION

Citation

Bioinformatics. 2017 Aug 1;33(15):2288-2295. doi: 10.1093/bioinformatics/btx191.
BEESEM: estimation of binding energy models using HT-SELEX data.
Ruan S, Swamidass SJ, Stormo GD

BHAGEERATH-H / Bhageerath 1.0 – Energy Based Protein Structure Prediction

Bhageerath 1.0 / BHAGEERATH-H

:: DESCRIPTION

Bhageerath is an energy based computer software suite for narrowing down the search space of tertiary structures of small globular proteins. The protocol comprises eight different computational modules that form an automated pipeline. It combines physics based potentials with biophysical filters to arrive at 10 plausible candidate structures starting from sequence and secondary structure information. The methodology has been validated here on 50 small globular proteins consisting of 2-3 helices and strands with known tertiary structures. For each of these proteins, a structure within 3-6 A RMSD (root mean square deviation) of the native has been obtained in the 10 lowest energy structures.

BHAGEERATH-H is a homology ab-intio hybrid eeb server for protein tertiary structure prediction

::DEVELOPER

Supercomputing Facility for Bioinformatics & Computational Biology, IIT Delhi

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Solaris

:: DOWNLOAD

  Bhageerath

:: MORE INFORMATION

Citation:

B Jayaram, Priyanka Dhingra, Avinash Mishra, Rahul Kaushik, Goutam Mukherjee, Ankita Singh and Shashank Shekhar,
Bhageerath-H: A homology ab initio hybrid server for predicting tertiary structures of monomeric soluble proteins“,
BMC Bioinformatics, 2014, 15(Suppl 16):S7

Bhageerath: an energy based web enabled computer software suite for limiting the search space of tertiary structures of small globular proteins.
Jayaram B, Bhushan K, Shenoy SR, Narang P, Bose S, Agrawal P, Sahu D, Pandey V.
Nucleic Acids Res. 2006;34(21):6195-204

ReadOut – Calculation of Direct and Indirect Readout energy Z-scores for Protein-DNA complexes

ReadOut

:: DESCRIPTION

ReadOut is a server calculates:
(1) The DNA conformational energy and Z-score, and
(2) The direct readout or base-amino acid interaction energy and Z-score for protein-DNA complex structures.

::DEVELOPER

Shandar Ahmad

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Web Server

:: DOWNLOAD

 NO

:: MORE INFORMATION

Citation

ReadOut: structure-based calculation of direct and indirect readout energies and specificities for protein-DNA recognition.
Ahmad S, Kono H, Araúzo-Bravo MJ, Sarai A.
Nucleic Acids Res. 2006 Jul 1;34(Web Server issue):W124-7.

FastContact 2.0 – Energy Scoring tool for Protein-protein Complex Structures

FastContact 2.0

:: DESCRIPTION

FastContact provides a fast estimate of the interaction free energy between two proteins. Because it is based on folding data, the estimate is robust and does not require to be re-parameterized as more complex structures become available.

::DEVELOPER

Carlos J. Camacho

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux

:: DOWNLOAD

  FastContact

:: MORE INFORMATION

Citation

Camacho CJ and Zhang C (2005).
FastContact: rapid estimate of contact and binding free energies.
Bioinformatics, 21(10):2534-6.