|
|
| IPRS | Research | Services | Education | Health | Contact Us | Sponsors | External Links | |
Innovative Products Research & Services, Inc.
a 501(c)(3) non profit
organization based in Massachusetts
Putting Creativity to Good Use
The Magnesium Project
Volunteer
Resources - Modeling Systems & Chemical Reactions
IPRS, Inc. Software/Computer Tools
Structural
analysis PDB -
www.rcsb.org/pdb MMDB at
www.ncbi.nlm.nih.gov/Structure SCOP
www.scop.mrc-lmb.cam.ac.uk/scop CATH
www.biochem.ucl.ac.uk/bsm/cath_new Swiss-Model (via
ExPASy)
http://www.expasy.ch/swissmod/SWISS_MODEL.html Pharmaceutical Compounds / Ligands /
Agonists / Antagonists, etc. IUPHAR Sequencing
The
Basic Local Alignment Search Tool (BLAST) finds regions
of local similarity between sequences. The program compares
nucleotide or protein sequences to sequence databases and
calculates the statistical significance of matches. BLAST can be
used to infer functional and evolutionary relationships between
sequences as well as help identify members of gene families.
Compare multiple sequences using Lalign
www.ch.embnet.org/software/LALIGN_form.html Models / Tools GESAPI Modeling language SBML Systems
Biology Markup
Language developed at Caltech, et al. UltraSAN Miscellaneous
proprietary tools/modeling software Comsol
www.comsol.com etc. Chemical Databases American Chemical
Society have to pay to get full articles, but can get
abstracts and citations and go to a library to copy the full
article. Pharmaceutical Compounds / Ligands /
Agonists / Antagonists, etc. IUPHAR Protein Analysis Tools
Topology prediction
·
PSORT - Prediction of protein subcellular localization
·
TargetP - Prediction of subcellular location
·
DAS - Prediction of transmembrane regions in prokaryotes
using the Dense Alignment Surface method (Stockholm
University)
·
HMMTOP - Prediction of transmembrane helices and
topology of proteins (Hungarian Academy of Sciences)
·
PredictProtein - Prediction of transmembrane helix
location and topology (Columbia University)
·
SOSUI - Prediction of transmembrane regions (TUAT; Tokyo
Univ. of Agriculture & Technology)
·
TMAP - Transmembrane detection based on multiple
sequence alignment (Karolinska Institut; Sweden)
·
TMHMM - Prediction of transmembrane helices in proteins
(CBS; Denmark)
·
TMpred - Prediction of transmembrane regions and protein
orientation (EMBnet-CH)
·
TopPred 2 - Topology prediction of membrane proteins
(Stockholm University)
Primary structure analysis
·
ProtParam -
Physico-chemical parameters of a protein sequence
(amino-acid and atomic compositions, pI, extinction
coefficient, etc.)
·
Compute pI/Mw -
Compute the theoretical pI and Mw from a
Swiss-Prot or TrEMBL entry or for a user sequence
·
MW, pI, Titration curve - Computes pI,
composition and allows to see a titration curve
·
REP - Searches a protein sequence for repeats
·
REPRO - De novo repeat detection in protein sequences
·
Radar - De novo repeat detection in protein sequences
·
SAPS - Statistical analysis of protein sequences at
EMBnet-CH [Also available at
EBI]
·
Coils - Prediction of coiled coil regions in proteins (Lupas's
method) at EMBnet-CH [Also available at
PBIL]
·
Paircoil - Prediction of coiled coil regions in proteins
(Berger's method)
·
Multicoil - Prediction of two- and three-stranded coiled
coils
·
2ZIP - Prediction of Leucine Zippers
·
PESTfind - Identification of PEST regions at EMBnet
Austria
·
HLA_Bind - Prediction of MHC type I (HLA) peptide
binding
·
SYFPEITHI - Prediction of MHC type I and II peptide
binding
·
ProtScale Amino acid scale representation (Hydrophobicity,
other conformational parameters, etc.)
·
Drawhca - Draw an HCA (Hydrophobic Cluster Analysis)
plot of a protein sequence
·
Protein Colourer - Tool for coloring your amino acid
sequence
·
Three To One - Tool to convert a three-letter coded
amino acid sequence to single letter code
·
Colorseq - Tool to highlight (in red) a selected set of
residues in a protein sequence
·
HelixWheel /
HelixDraw - Representations of a protein fragment as a
helical wheel
·
RandSeq - Random protein sequence generator
Secondary structure prediction
·
AGADIR - An algorithm to predict the helical content of
peptides
·
APSSP - Advanced Protein Secondary Structure Prediction
Server
·
GOR - Garnier et al, 1996
·
HNN - Hierarchical Neural Network method (Guermeur,
1997)
·
Jpred - A consensus method for protein secondary
structure prediction at University of Dundee
·
JUFO - Protein secondary structure prediction from
sequence (neural network)
·
nnPredict - University of California at San Francisco
(UCSF)
·
PredictProtein - PHDsec, PHDacc, PHDhtm, PHDtopology,
PHDthreader, MaxHom, EvalSec from Columbia University
·
Prof - Cascaded Multiple Classifiers for Secondary
Structure Prediction
·
PSA - BioMolecular Engineering Research Center (BMERC) /
Boston
·
PSIpred - Various protein structure prediction methods
at Brunel University
·
SOPMA - Geourjon and Delιage, 1995
·
SSpro - Secondary structure prediction using
bidirectional recurrent neural networks at University of
California
Tertiary structure Tertiary structure analysis
·
iMolTalk - An Interactive Protein Structure Analysis
Server
·
MolTalk - A computational environment for structural
bioinformatics
·
Seq2Struct - A web resource for the identification of
sequence-structure links Tertiary structure prediction Comparative modeling
·
SWISS-MODEL An automated knowledge-based protein
modelling server
·
3Djigsaw - Three-dimensional models for proteins based
on homologues of known structure
·
CPHmodels - Automated neural-network based protein
modelling server
·
ESyPred3D - Automated homology modeling program using
neural networks
·
Geno3d - Automatic modelling of protein
three-dimensional structure
·
SDSC1 - Protein Structure Homology Modeling Server Threading
·
3D-PSSM - Protein fold recognition using 1D and 3D
sequence profiles coupled with secondary structure
information (Foldfit)
·
Fugue - Sequence-structure homology recognition
·
Libellula - Neural network approach to evaluate fold
recognition results
·
LOOPP - Sequence to sequence, sequence to structure, and
structure to structure alignment
·
SAM-T02 - HMM-based Protein Structure Prediction
·
Threader - Protein fold recognition
·
ProSup - Protein structure superimposition
·
SWEET - Constructing 3D models of saccharides from their
sequences Ab initio
·
HMMSTR/Rosetta - Prediction of protein structure from
sequence Assessing tertiary structure prediction
·
Anolea - Atomic Non-Local Environment Assessment
·
Biotech Validation Suite for Protein Structures
·
EVA - EValuation of Automatic protein structure
prediction
·
LiveBench - Continuous Benchmarking of Structure
Prediction Servers
·
PROCHECK - Verification of the stereochemical quality of
a protein structure
·
What If - Protein structure analysis program for mutant
prediction, structure verification, molecular graphics Molecular modeling and visualization
tools
·
Swiss-PdbViewer - A program to display, analyze and
superimpose protein 3D structures
·
MolMol
·
Rasmol
·
VMD Prediction of disordered regions
·
DisEMBL - Protein disorder prediction
·
GlobPlot - Protein disorder/order/globularity/domain
predictor
Back to Volunteer Opportunities
Go to the Mg project Home Page
© 2002 - 2026, All Rights Reserved, IPRS Inc.
http://www.iprsinc.org
For the latest updates one might use AI/ML tools like Google's
Bard/Gemini, OpenAI's ChatGPT-4, Microsoft's Copilot, Amazon
(AWS). Meta (Llama), et al.
Cn3D 3D structure visualization
rasMOL molecular modeling and visualization
SMILES chemical naming system
CHARM
FoldIt protein folding modeling software
AlphaFold -
protein structure prediction - see recent enhancements and
"competition"
Jmol
PIDD - Protein Inter-Atomic Distance
Differences - at
http://www.math.iastate.edu/pidd
Proteopedia wiki see also
http://www.umass.edu/microbio/rasmol/
Source: www.IUPHAR-db.org/DATABASE/
BLAST and BLASTP NIH
http://ncbi.nih.gov/Structure/MISC/linking.html
http://www.ncbi.nlm.nih.gov/BLAST/
Dotlet at
www.ch.embnet.org
http://chemport.cas.org/cgi-bin/sdcgi
Source:
www.IUPHAR-db.org/DATABASE/
From:
http://www.expasy.org/tools/#secondary
Revised:
January 04, 2026