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NOE assignment and structure calculation (NMR-based proteomic analysis)

The major bottleneck in the determination of solution NMR structures is the assignment of NOE peaks (nuclear Overhauser effect). NOE assignment and structure calculation are often combined together to calculate final structures.

Xplor-NIH
Desktop

Xplor-NIH

A package to generate and manipulate molecular structures. Protein and nucleic…

A package to generate and manipulate molecular structures. Protein and nucleic acid structures, including bond and angle definitions can be generated from sequence-only information, and the…

GeNMR
Web

GeNMR GEnerate NMR structure

Produces an ensemble of PDB (Protein Data Bank file format) coordinates within…

Produces an ensemble of PDB (Protein Data Bank file format) coordinates within a period ranging from 20 minutes to 4 hours, depending on protein size, server load, quality and type of experimental…

TALOS+
Desktop

TALOS+

Establishes an empirical relation between 13C, 15N and 1H chemical shifts and…

Establishes an empirical relation between 13C, 15N and 1H chemical shifts and backbone torsion angles phi and psi.

FANTEN
Web

FANTEN Finding ANisotropy TENsors

Determines the anisotropy tensors related to PCSs and RDCs. FANTEN allows the…

Determines the anisotropy tensors related to PCSs and RDCs. FANTEN allows the users to determine the anisotropy tensors through a joint analysis of these restraints. It can be used to predict PCS and…

CSI
Web

CSI Chemical Shift Index

A web server designed to accurately identify the location of secondary and…

A web server designed to accurately identify the location of secondary and super-secondary structures in protein chains using only nuclear magnetic resonance (NMR) backbone chemical shifts and their…

nD-RDC
Desktop

nD-RDC

Provides highly accurate relative order tensors for each of the alignment media…

Provides highly accurate relative order tensors for each of the alignment media by utilizing unassigned data collected (RDC). nD-RDC can determine the relative orientation and the strength of…

PDPA
Desktop

PDPA Probability Density Profile Analysis

Provides classification of protein structure models. PDPA uses multiple…

Provides classification of protein structure models. PDPA uses multiple unassigned and correlated residual dipolar coupling (RDC) sets of data and an experimental errors estimation to produce a…

2D-RDC
Web

2D-RDC

Allows analysis of the distribution of residual dipolar coupling (RDCs) from…

Allows analysis of the distribution of residual dipolar coupling (RDCs) from two medias. 2D-RDC is a method for extract the relative order tensors for a protein without the need for assignment or…

ADAPT-NMR
Desktop
PONDEROSA-C/S
Web

PONDEROSA-C/S

Consists of three programs: Ponderosa Server, Ponderosa Client, and Ponderosa…

Consists of three programs: Ponderosa Server, Ponderosa Client, and Ponderosa Analyzer. PONDEROSA-C/S takes as input the protein sequence, a list of assigned chemical shifts, and nuclear Overhauser…

Distance…
Web

Distance Mapping

Permits users to illustrate distances of equal r as a function of the…

Permits users to illustrate distances of equal r as a function of the appropriate phi, varphi coordinates.

UNIO
Web

UNIO

Enables you to perform automated NMR data analysis and structure calculation…

Enables you to perform automated NMR data analysis and structure calculation for 3D protein structure determination.

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