Machine learning/molecular dynamic protein structure prediction approach to investigate the protein conformational ensemble

		BioNMR > NMR community > Online News
Machine learning/molecular dynamic protein structure prediction approach to investigate the protein conformational ensemble \| Scientific Reports - Nature.com

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

Thread Tools

Search this Thread

Rate Thread

Display Modes

08-11-2022, 01:49 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,777

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

Machine learning/molecular dynamic protein structure prediction approach to investigate the protein conformational ensemble | Scientific Reports - Nature.com

Machine learning/molecular dynamic protein structure prediction approach to investigate the protein conformational ensemble | Scientific Reports - Nature.com

Machine learning/molecular dynamic protein structure prediction approach to investigate the protein conformational ensemble | Scientific Reports Nature.com Read here

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
AlphaFold2 models indicate that protein sequence determines both structure and dynamics \| Scientific Reports - Nature.com AlphaFold2 models indicate that protein sequence determines both structure and dynamics \| Scientific Reports - Nature.com AlphaFold2 models indicate that protein sequence determines both structure and dynamics \| Scientific Reports Nature.com Read here	nmrlearner	Online News	0	08-11-2022 01:49 PM
Vav2 is a novel APP-interacting protein that regulates APP protein level \| Scientific Reports - Nature.com Vav2 is a novel APP-interacting protein that regulates APP protein level \| Scientific Reports - Nature.com Vav2 is a novel APP-interacting protein that regulates APP protein level \| Scientific Reports Nature.com Read here	nmrlearner	Online News	0	07-27-2022 04:09 AM
Role of a bacterial glycolipid in Sec-independent membrane protein insertion \| Scientific Reports - Nature.com Role of a bacterial glycolipid in Sec-independent membrane protein insertion \| Scientific Reports - Nature.com Role of a bacterial glycolipid in Sec-independent membrane protein insertion \| Scientific Reports Nature.com Read here	nmrlearner	Online News	0	07-18-2022 03:28 PM
Crystal structure of potato 14-3-3 protein St14f revealed the importance of helix I in StFDL1 recognition \| Scientific Reports - Nature.com Crystal structure of potato 14-3-3 protein St14f revealed the importance of helix I in StFDL1 recognition \| Scientific Reports - Nature.com Crystal structure of potato 14-3-3 protein St14f revealed the importance of helix I in StFDL1 recognition \| Scientific Reports Nature.com Read here	nmrlearner	Online News	0	07-09-2022 07:39 AM
Aminoglycoside antibiotic kanamycin functionalized tetraphenylethylene molecular probe for highly selective detection of bovine serum albumin protein \| Scientific Reports - Nature.com Aminoglycoside antibiotic kanamycin functionalized tetraphenylethylene molecular probe for highly selective detection of bovine serum albumin protein \| Scientific Reports - Nature.com Aminoglycoside antibiotic kanamycin functionalized tetraphenylethylene molecular probe for highly selective detection of bovine serum albumin protein \| Scientific Reports Nature.com Read here	nmrlearner	Online News	0	07-08-2022 03:30 AM
Structure determination of high-energy states in a dynamic protein ensemble - Nature.com Structure determination of high-energy states in a dynamic protein ensemble - Nature.com Structure determination of high-energy states in a dynamic protein ensemble Nature.com Read here	nmrlearner	Online News	0	03-05-2022 01:44 AM
Effective prediction of short hydrogen bonds in proteins via machine learning method \| Scientific Reports - Nature.com Effective prediction of short hydrogen bonds in proteins via machine learning method \| Scientific Reports - Nature.com Effective prediction of short hydrogen bonds in proteins via machine learning method \| Scientific Reports Nature.com Read here	nmrlearner	Online News	0	01-10-2022 08:59 PM
Random sampling of the Protein Data Bank: RaSPDB \| Scientific Reports - Nature.com Random sampling of the Protein Data Bank: RaSPDB \| Scientific Reports - Nature.com Random sampling of the Protein Data Bank: RaSPDB \| Scientific Reports Nature.com Read here	nmrlearner	Online News	0	12-18-2021 07:26 AM

« Previous Thread | Next Thread »

Posting Rules
You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is On Trackbacks are Off Pingbacks are Off Refbacks are Off