The 7 steps of Homology modeling. 1: Template recognition and initial alignment.

Slides:



Advertisements
Similar presentations
Applications of Homology Modeling
Advertisements

Applications of Homology Modeling Hanka Venselaar.
CENTER FOR BIOLOGICAL SEQUENCE ANALYSISTECHNICAL UNIVERSITY OF DENMARK DTU Homology Modeling Anne Mølgaard, CBS, BioCentrum, DTU.
Tertiary protein structure viewing and prediction July 1, 2009 Learning objectives- Learn how to manipulate protein structures with Deep View software.
CISC667, F05, Lec21, Liao1 CISC 467/667 Intro to Bioinformatics (Fall 2005) Protein Structure Prediction 3-Dimensional Structure.
Identifying structural templates using alignments of designed sequences Stefan M. Larson Pande Group Biophysics Program December, 2002
The TEXTAL System for Automated Model Building Thomas R. Ioerger Texas A&M University.
Tertiary protein structure viewing and prediction July 5, 2006 Learning objectives- Learn how to manipulate protein structures with Deep View software.
Homology modelling ? X-ray ? NMR ?. Homology Modelling !
CENTER FOR BIOLOGICAL SEQUENCE ANALYSISTECHNICAL UNIVERSITY OF DENMARK DTU Protein Homology Modelling Thomas Blicher Center for Biological Sequence Analysis.
Thomas Blicher Center for Biological Sequence Analysis
©CMBI 2002 Homology modelling ? X-ray ? NMR ? Intro Proteins Modelling 8 Steps Detect Threading Alignment Template Side chain Indels Optimize Validate.
Gaussian Mixture Example: Start After First Iteration.
. Protein Structure Prediction [Based on Structural Bioinformatics, section VII]
Tertiary protein structure modelling May 31, 2005 Graded papers will handed back Thursday Quiz#4 today Learning objectives- Continue to learn how to manipulate.
1 Protein Structure Prediction Reporter: Chia-Chang Wang Date: April 1, 2005.
Applications of Homology Modeling Hanka Venselaar.
Hidden Markov Models Usman Roshan BNFO 601. Hidden Markov Models Alphabet of symbols: Set of states that emit symbols from the alphabet: Set of probabilities.
Molecular modelling / structure prediction (A computational approach to protein structure) Today: Why bother about proteins/prediction Concepts of molecular.
Fall 2008 Insertion Sort – review of loop invariants.
CENTER FOR BIOLOGICAL SEQUENCE ANALYSISTECHNICAL UNIVERSITY OF DENMARK DTU Homology Modelling Thomas Blicher Center for Biological Sequence Analysis.
Identification of Domains using Structural Data Niranjan Nagarajan Department of Computer Science Cornell University.
Homology modelling ? X-ray ? NMR ?. Homology Modelling !
. Clarifications and Corrections. 2 The ‘star’ algorithm (tutorial #3 slide 13) can be implemented with the following modification: Instead of step (a)
Applications of Homology Modeling Hanka Venselaar.
Homology Modeling Seminar produced by Hanka Venselaar.
Protein Structures.
An introduction and homology modeling
Bioinformatics Ayesha M. Khan Spring 2013.
Protein modelling ● Protein structure is the key to understanding protein function ● Protein structure ● Topics in modelling and computational methods.
Homology Modeling David Shiuan Department of Life Science and Institute of Biotechnology National Dong Hwa University.
Computer-Assisted Drug Design (1) i)Random Screening ii)Lead Development and Optimization using Multivariate Statistical Analyses. iii)Lead Generation.
COMPARATIVE or HOMOLOGY MODELING
CRB Journal Club February 13, 2006 Jenny Gu. Selected for a Reason Residues selected by evolution for a reason, but conservation is not distinguished.
Cab55342 Autobuild model Density-modified map Autobuilding starting with morphed model.
Lecture 10 – protein structure prediction. A protein sequence.
Representations of Molecular Structure: Bonds Only.
Lecture 12 CS5661 Structural Bioinformatics Motivation Concepts Structure Prediction Summary.
Supplemental Figure S1. Details on homology modeling used to build KCS1 3D model. (A) Best templates and associated parameters obtained after threading.
Rerun of essentials of week one From Rotamers to Models and back via the Entropy of Water.
Protein Folding Programs By Asım OKUR CSE 549 November 14, 2002.
MolIDE2: Homology Modeling Of Protein Oligomers And Complexes Qiang Wang, Qifang Xu, Guoli Wang, and Roland L. Dunbrack, Jr. Fox Chase Cancer Center Philadelphia,
Applied Bioinformatics Week 12. Bioinformatics & Functional Proteomics How to classify proteins into functional classes? How to compare one proteome with.
Structure prediction: Homology modeling
TF-DNA binding dependency A progress report March 17, 2010 Hugo Willy.
Predicting Protein Structure: Comparative Modeling (homology modeling)
Protein Structure Prediction: Homology Modeling & Threading/Fold Recognition D. Mohanty NII, New Delhi.
Homology modeling with SWISS-MODEL
Protein Folding & Biospectroscopy Lecture 6 F14PFB David Robinson.
PYTHON PROGRAMMING Week 12 – Tuesday. STARTER What is a flowchart? Do you know any of the symbols used in a flowchart and what they mean?
Structural alignment methods Like in sequence alignment, try to find best correspondence: –Look at atoms –A 3-dimensional problem –No a priori knowledge.
Comparative methods Basic logics: The 3D structure of the protein is deduced from: 1.Similarities between the protein and other proteins 2.Statistical.
Applications of Homology Modeling Hanka Venselaar.
1. What’s the homologous series?. 2. What’s the homologous series?
Protein Structure Prediction: Threading and Rosetta BMI/CS 576 Colin Dewey Fall 2008.
Molecular modelling José R. Valverde CNB/CSIC © José R. Valverde, 2014 CC-BY-NC-SA.
Stony Brook Integrative Structural Biology Organization
PROTEIN MODELLING Presented by Sadhana S.
Protein Structure Visualisation
21.2 Primary Structure of Nucleic Acids
Iterations Programming Condition Controlled Loops (WHILE Loop)
Protein Structures.
Prediction of protein structure
Molecular Modeling By Rashmi Shrivastava Lecturer
Homology Modeling.
Protein structure prediction.
Print the following triangle, using nested loops
Shared memory programming
Homology modeling in short…
NMR ? X-ray ? Homology modelling ? Intro Proteins Modelling 8 Steps
Presentation transcript:

The 7 steps of Homology modeling

1: Template recognition and initial alignment

2: Alignment correction

1: Template recognition and initial alignment 2: Alignment correction

1: Template recognition and initial alignment 2: Alignment correction 3: Backbone generation

1: Template recognition and initial alignment 2: Alignment correction 3: Backbone generation 4: Loop modeling

Known structure GVCMYIEA---LDKYACNC Your sequence GECFMVKDLSNPSRYLCKC

1: Template recognition and initial alignment 2: Alignment correction 3: Backbone generation 4: Loop modeling 5: Sidechain modeling

1: Template recognition and initial alignment 2: Alignment correction 3: Backbone generation 4: Loop modeling 5: Sidechain modeling 6: Model optimization

1: Template recognition and initial alignment 2: Alignment correction 3: Backbone generation 4: Loop modeling 5: Sidechain modeling 6: Model optimization 7: Model validation

1: Template recognition and initial alignment 2: Alignment correction 3: Backbone generation 4: Loop modeling 5: Sidechain modeling 6: Model optimization 7: Model validation 8: Iteration

Model! 1: Template recognition and initial alignment 2: Alignment correction 3: Backbone generation 4: Loop modeling 5: Sidechain modeling 6: Model optimization 7: Model validation 8: Iteration

7 steps of homology modeling 1: Template recognition and initial alignment 2: Alignment correction 3: Backbone generation 4: Loop modeling 5: Side-chain modeling 6: Model optimization 7: Model validation 8: Iteration Alignment Modeling Correction