ModeRNA 1.7.1 – Comparative RNA 3D Modeling

ModeRNA 1.7.1

:: DESCRIPTION

ModeRNA is a program for comparative modeling of RNA 3D structures. It requires a pairwise sequence alignment and a structural template to generate a 3D structural model of the target RNA sequence via either a fully automated or script-based approaches. ModeRNA is capable of handling 115 different nucleotide modifications and bridging gaps using fragments derived from an extensive fragment library.

::DEVELOPER

Bujnicki Laboratory

:: SCREENSHOTS

N/A

:: REQUIREMENTS

:: DOWNLOAD

ModeRNA

:: MORE INFORMATION

Citation

Magdalena Rother, Kristian Rother, Tomasz Puton and Janusz M. Bujnicki
ModeRNA: a tool for comparative modeling of RNA 3D structure
Nucl. Acids Res.(2011)doi: 10.1093

CN3D 4.3.1 – 3D Molecular Structure Viewer

CN3D 4.3.1

:: DESCRIPTION

Cn3D is a helper application for your web browser that allows you to view 3-dimensional structures from NCBI’s Entrez retrieval service. Cn3D simultaneously displays structure, sequence, and alignment, and now has powerful annotation and alignment editing features.

What sets Cn3D apart from other software is its ability to correlate structure and sequence information: for example, a scientist can quickly find the residues in a crystal structure that correspond to known disease mutations, or conserved active site residues from a family of sequence homologs. Cn3D displays structure-structure alignments along with their structure-based sequence alignments, to emphasize what regions of a group of related proteins are most conserved in structure and sequence.

Cn3D reads only data files from the MMDB database, not PDB formatted records.

::DEVELOPER

The NCBI Structure Group

:: SCREENSHOTS

:: REQUIREMENTS

  • Windows/Macintosh/Unix/Linux

:: DOWNLOAD

CN3D

:: MORE INFORMATION

Below is a complete list (with links into Entrez) of all literature cited in the preparation of this tutorial.

  1. Di Cristofano A, Pandolfi PP. The multiple roles of PTEN in tumor suppression. Cell 2000 Feb 18; 100(4):387-90. (Entrez)
  2. Lee JO, Yang H, Georgescu MM, Di Cristofano A, Maehama T, Shi Y, Dixon JE, Pandolfi P, Pavletich NP. Crystal structure of the PTEN tumor suppressor: implications for its phosphoinositide phosphatase activity and membrane association. Cell 1999 Oct 29; 99(3):323-34. (Entrez)
  3. Liaw D, Marsh DJ, Li J, Dahia PL, Wang SI, Zheng Z, Bose S, Call KM, Tsou HC, Peacocke M, Eng C, Parsons R. Germline mutations of the PTEN gene in Cowden disease, an inherited breast and thyroid cancer syndrome. Nat Genet. 1997 May; 16(1):64-7. (Entrez)

Pentacle 1.0.7 – Advanced Alignment-Independent 3D QSAR

Pentacle 1.0.7

:: DESCRIPTION

Pentacle is an advanced software tool for obtaining alignment-independent 3D quantitative structure-activity relationships. The program starts from a set of structures, computing highly relevant 3D maps of interaction energies between the molecule and chemical probes (GRID based Molecular Interaction Fields, or MIFs). Pentacle automatically encodes these maps into GRID Independent Descriptors (GRIND and GRIND2 descriptors), which are independent of the alignment of the series, thus bypassing one of the most time-consuming aspects of traditional 3D QSAR.

::DEVELOPER

Molecular Discovery

:: SCREENSHOTS

:: REQUIREMENTS

  • Windows

:: DOWNLOAD

   Pentacle

:: MORE INFORMATION

Citation

J Chem Inf Model. 2009 Sep;49(9):2129-38.
Suitability of GRIND-based principal properties for the description of molecular similarity and ligand-based virtual screening.
Durán A, Zamora I, Pastor M.

ANOLEA 2.4.2-2 – Assess the Quality of a 3D Protein Structure

ANOLEA 2.4.2-2

:: DESCRIPTION

ANOLEA (Atomic Non-Local Environment Assessment) is a server to assess the quality of a three – dimensional protein structure. It uses a statistical potential at the atomic level and gives an energy profile as ouput. Also, the user can choose to have a molecular graphical output representation of the energy profile.

::DEVELOPER

Francisco Melo Ledermann

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux

:: DOWNLOAD

 ANOLEA

:: MORE INFORMATION

Citation

Proc Int Conf Intell Syst Mol Biol. 1997;5:187-90.
ANOLEA: a www server to assess protein structures.
Melo F, Devos D, Depiereux E, Feytmans E.

Scipion 3.0 – An Image Processing Framework for 3D Electron Microscopy

Scipion 3.0

:: DESCRIPTION

Scipion is an image processing framework to obtain 3D models of macromolecular complexes using Electron Microscopy (3DEM). It integrates several software packages and presents an unified interface for both biologists and developers.

::DEVELOPER

Biocomputing Unit – CNB

:: SCREENSHOTS

:: REQUIREMENTS

  • Linux
  • Xmipp

:: DOWNLOAD

  Scipion

:: MORE INFORMATION

Citation:

Scipion: a software framework toward integration, reproducibility and validation in 3D Electron Microscopy.
de la Rosa-Trevín JM, Quintana A, Del Cano L, Zaldívar A, Foche I, Gutiérrez J, Gómez-Blanco J, Burguet-Castell J, Cuenca-Alba J, Abrishami V, Vargas J, Otón J, Sharov G, Vilas JL, Navas J, Conesa P, Kazemi M, Marabini R, Sorzano CO, Carazo JM.
J Struct Biol. 2016 Apr 20. pii: S1047-8477(16)30079-X. doi: 10.1016/j.jsb.2016.04.010

A statistical approach to the initial volume problem in Single Particle Analysis by Electron Microscopy.
Sorzano CO, Vargas J, de la Rosa-Trevín JM, Otón J, álvarez-Cabrera AL, Abrishami V, Sesmero E, Marabini R, Carazo JM.
J Struct Biol. 2015 Mar;189(3):213-9. doi: 10.1016/j.jsb.2015.01.009.

PPMs / PPMs-sl / PPMs-mcsl / PPMs-sub – Protein 3D Similar Substructure

PPMs / PPMs-sl / PPMs-mcsl / PPMs-sub

:: DESCRIPTION

PPMs is a tool for finding common substructures of the two proteins.

PPMs-sl is a tool for finding the largest matching subsets of the protein itself

PPMs-mcsl is for finding all similar substructures from different chains of the same protein.

PPMs-sub is for searching a substructure in the entire protein structure.

::DEVELOPER

PPMs team

:: SCREENSHOTS

:: REQUIREMENTS

  • Windows/Linux/MacOsX
  • Java

:: DOWNLOAD

 PPMs / PPMs-sl / PPMs-mcsl / PPMs-sub

:: MORE INFORMATION

iMolview 1.9.5 – iPhone, iPad and Android App for Browsing Protein, DNA & Drug Molecules in 3D

iMolview 1.9.5

:: DESCRIPTION

iMolview is an app for the iPhone , iPad and Android that lets you browse protein, DNA, and drug molecules in 3D. The app has a direct link to the Protein Data Bank (PDB) and DrugBank and has a fast and easy to use interface. Touching the molecules via the screen allows you to interact immediately with the 3D structures in a unique way. You can zoom in and out, rotate, spin, pan, and clip the 3D molecules with your finger tips in ways that are impossible using a traditional mouse and desktop computer.

::DEVELOPER

Molsoft LLC.

:: SCREENSHOTS

:: REQUIREMENTS

  • IPhone / IPad / Android

:: DOWNLOAD

iMolview

:: MORE INFORMATION

MorphoGraphX 1.1.1280 – Visualization and Processing of 3D Biological Datasets

MorphoGraphX 1.1.1280

:: DESCRIPTION

MorphoGraphX is a cross-platform, open-source application for the visualization and processing of 3D biological datasets.

::DEVELOPER

Richard S. Smith ,Systems Biology/Developmental Modeling

:: SCREENSHOTS

::REQUIREMENTS

  • Linux

:: DOWNLOAD

 MorphoGraphX

:: MORE INFORMATION

Citation

Methods Mol Biol. 2014;1080:121-34. doi: 10.1007/978-1-62703-643-6_10.
Quantifying cell shape and gene expression in the shoot apical meristem using MorphoGraphX.
de Reuille PB1, Robinson S, Smith RS.

Daniel Kierzkowski et al.
Elastic Domains Regulate Growth and Organogenesis in the Plant Shoot Apical Meristem
Science 2 March 2012: Vol. 335 no. 6072 pp. 1096-1099

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