Tag: Decoy

RW 1.0 – Protein Structure Modeling and Structure Decoy Recognition

RW 1.0

:: DESCRIPTION

RW (Random-Walk) is distance-dependent atomic potential for protein structure modeling and structure decoy recognition. It was derived from 1,383 high-resolution PDB structures using an ideal random-walk chain as the reference state. The RW potential has been extensively optimized and tested on a variety of protein structure decoy sets and demonstrates a significant power in protein structure recognition and a strong correlation with the RMSD of decoys to the native structures

::DEVELOPER

Yang Zhang’s Research Group

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux
:: DOWNLOAD

 calRW

:: MORE INFORMATION

Citation

Zhang J, Zhang Y (2010)
A Novel Side-Chain Orientation Dependent Potential Derived from Random-Walk Reference State for Protein Fold Selection and Structure Prediction.
PLoS ONE 5(10): e15386.

Dove – A Deep-learning based dOcking decoy eValuation mEthod

Dove

:: DESCRIPTION

Dove is a deep learning based protein docking model evluation method.It will use the atom information such as postions, types, energy scores in the interface area to judge if the docking model is reasonable.

::DEVELOPER

Kihara Bioinformatics Laboratory

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux
  • Python

:: DOWNLOAD

Dove

:: MORE INFORMATION

Citation

Bioinformatics. 2019 Nov 20. pii: btz870. doi: 10.1093/bioinformatics/btz870. [Epub ahead of print]
Protein Docking Model Evaluation by 3D Deep Convolutional Neural Networks.
Wang X, Terashi G, Christoffer CW, Zhu M, Kihara D.

SPIDER – Scoring Protein Interaction Decoys using Exposed Residues

SPIDER

:: DESCRIPTION

SPIDER is developed as a knowledge-based scoring function for protein-protein interaction decoys. SPIDER is a novel multi-body pose-scoring function that has no theoretical limit on the number of residues contributing to the individual interaction terms. SPIDER’s score relies on the geometric similarity of interfacial residues between docking poses and naturally occuring (native) poses.

::DEVELOPER

SPIDER Team

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux

:: DOWNLOAD

 SPIDER

:: MORE INFORMATION

Citation

Raed Khashan, Weifan Zheng, and Alexander Tropsha.
Scoring protein interaction decoys using exposed residues (SPIDER): A novel multibody interaction scoring function based on frequent geometric patterns of interfacial residues.
Proteins: Structure, Function, and Bioinformatics, Volume 80, Issue 9, Pages 2207-2217, August 2012.