Literature DB >> 19929829

Template-based protein modeling: recent methodological advances.

Pankaj R Daga1, Ronak Y Patel, Robert J Doerksen.   

Abstract

Protein modeling has been a very challenging problem in drug discovery and computational biology. The latest advances and progress in computational power have helped to solve this problem to a considerable extent; however, predicting accurate three-dimensional structure of proteins has always been and remains a complicated assignment. Of the two common methods of protein structure prediction, template-based modeling has become more popular than ab initio modeling. In this review, we summarize the developments in methodology and of understanding for comparative protein modeling during the last three years, including for homologue search, fold recognition, secondary structure prediction, model building, loop building, side-chain prediction and model quality assessment.

Entities:  

Mesh:

Substances:

Year:  2010        PMID: 19929829      PMCID: PMC5943704          DOI: 10.2174/156802610790232314

Source DB:  PubMed          Journal:  Curr Top Med Chem        ISSN: 1568-0266            Impact factor:   3.295


  146 in total

Review 1.  Molecular recognition and docking algorithms.

Authors:  Natasja Brooijmans; Irwin D Kuntz
Journal:  Annu Rev Biophys Biomol Struct       Date:  2003-01-28

Review 2.  Computational methods for protein secondary structure prediction using multiple sequence alignments.

Authors:  J Heringa
Journal:  Curr Protein Pept Sci       Date:  2000-11       Impact factor: 3.272

3.  A hierarchical approach to all-atom protein loop prediction.

Authors:  Matthew P Jacobson; David L Pincus; Chaya S Rapp; Tyler J F Day; Barry Honig; David E Shaw; Richard A Friesner
Journal:  Proteins       Date:  2004-05-01

4.  Porter: a new, accurate server for protein secondary structure prediction.

Authors:  Gianluca Pollastri; Aoife McLysaght
Journal:  Bioinformatics       Date:  2004-12-07       Impact factor: 6.937

5.  SCWRL and MolIDE: computer programs for side-chain conformation prediction and homology modeling.

Authors:  Qiang Wang; Adrian A Canutescu; Roland L Dunbrack
Journal:  Nat Protoc       Date:  2008       Impact factor: 13.491

Review 6.  Knowledge-based prediction of protein structures and the design of novel molecules.

Authors:  T L Blundell; B L Sibanda; M J Sternberg; J M Thornton
Journal:  Nature       Date:  1987 Mar 26-Apr 1       Impact factor: 49.962

7.  Impact of plasticity and flexibility on docking results for cytochrome P450 2D6: a combined approach of molecular dynamics and ligand docking.

Authors:  Jozef Hritz; Anita de Ruiter; Chris Oostenbrink
Journal:  J Med Chem       Date:  2008-12-11       Impact factor: 7.446

8.  Sequence based residue depth prediction using evolutionary information and predicted secondary structure.

Authors:  Hua Zhang; Tuo Zhang; Ke Chen; Shiyi Shen; Jishou Ruan; Lukasz Kurgan
Journal:  BMC Bioinformatics       Date:  2008-09-20       Impact factor: 3.169

9.  PDBalert: automatic, recurrent remote homology tracking and protein structure prediction.

Authors:  Vatsal Agarwal; Michael Remmert; Andreas Biegert; Johannes Söding
Journal:  BMC Struct Biol       Date:  2008-11-25

10.  Validation of protein models by a neural network approach.

Authors:  Paolo Mereghetti; Maria Luisa Ganadu; Elena Papaleo; Piercarlo Fantucci; Luca De Gioia
Journal:  BMC Bioinformatics       Date:  2008-01-29       Impact factor: 3.169

View more
  14 in total

1.  TASSER_WT: a protein structure prediction algorithm with accurate predicted contact restraints for difficult protein targets.

Authors:  Seung Yup Lee; Jeffrey Skolnick
Journal:  Biophys J       Date:  2010-11-03       Impact factor: 4.033

Review 2.  From laptop to benchtop to bedside: structure-based drug design on protein targets.

Authors:  Lu Chen; John K Morrow; Hoang T Tran; Sharangdhar S Phatak; Lei Du-Cuny; Shuxing Zhang
Journal:  Curr Pharm Des       Date:  2012       Impact factor: 3.116

3.  Ligand-Binding-Site Structure Refinement Using Molecular Dynamics with Restraints Derived from Predicted Binding Site Templates.

Authors:  Hugo Guterres; Hui Sun Lee; Wonpil Im
Journal:  J Chem Theory Comput       Date:  2019-10-14       Impact factor: 6.006

4.  Adapting Poisson-Boltzmann to the self-consistent mean field theory: application to protein side-chain modeling.

Authors:  Patrice Koehl; Henri Orland; Marc Delarue
Journal:  J Chem Phys       Date:  2011-08-07       Impact factor: 3.488

Review 5.  Bioinformatics and variability in drug response: a protein structural perspective.

Authors:  Jennifer L Lahti; Grace W Tang; Emidio Capriotti; Tianyun Liu; Russ B Altman
Journal:  J R Soc Interface       Date:  2012-05-02       Impact factor: 4.118

6.  Computational model of hepatitis B virus DNA polymerase: molecular dynamics and docking to understand resistant mutations.

Authors:  Pankaj R Daga; Jinsong Duan; Robert J Doerksen
Journal:  Protein Sci       Date:  2010-04       Impact factor: 6.725

Review 7.  Database resources for the tuberculosis community.

Authors:  Jocelyne M Lew; Chunhong Mao; Maulik Shukla; Andrew Warren; Rebecca Will; Dmitry Kuznetsov; Ioannis Xenarios; Brian D Robertson; Stephen V Gordon; Dirk Schnappinger; Stewart T Cole; Bruno Sobral
Journal:  Tuberculosis (Edinb)       Date:  2013-01-17       Impact factor: 3.131

8.  Protein structure prediction provides comparable performance to crystallographic structures in docking-based virtual screening.

Authors:  Hongying Du; Jeffrey R Brender; Jian Zhang; Yang Zhang
Journal:  Methods       Date:  2014-09-08       Impact factor: 3.608

9.  BCL::Fold--de novo prediction of complex and large protein topologies by assembly of secondary structure elements.

Authors:  Mert Karakaş; Nils Woetzel; Rene Staritzbichler; Nathan Alexander; Brian E Weiner; Jens Meiler
Journal:  PLoS One       Date:  2012-11-16       Impact factor: 3.240

10.  ModBase, a database of annotated comparative protein structure models and associated resources.

Authors:  Ursula Pieper; Benjamin M Webb; Guang Qiang Dong; Dina Schneidman-Duhovny; Hao Fan; Seung Joong Kim; Natalia Khuri; Yannick G Spill; Patrick Weinkam; Michal Hammel; John A Tainer; Michael Nilges; Andrej Sali
Journal:  Nucleic Acids Res       Date:  2013-11-23       Impact factor: 16.971

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.