Literature DB >> 24759934

The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems.

Fabio Sterpone1, Simone Melchionna, Pierre Tuffery, Samuela Pasquali, Normand Mousseau, Tristan Cragnolini, Yassmine Chebaro, Jean-Francois St-Pierre, Maria Kalimeri, Alessandro Barducci, Yoann Laurin, Alex Tek, Marc Baaden, Phuong Hoang Nguyen, Philippe Derreumaux.   

Abstract

The OPEP coarse-grained protein model has been applied to a wide range of applications since its first release 15 years ago. The model, which combines energetic and structural accuracy and chemical specificity, allows the study of single protein properties, DNA-RNA complexes, amyloid fibril formation and protein suspensions in a crowded environment. Here we first review the current state of the model and the most exciting applications using advanced conformational sampling methods. We then present the current limitations and a perspective on the ongoing developments.

Entities:  

Mesh:

Substances:

Year:  2014        PMID: 24759934      PMCID: PMC4426487          DOI: 10.1039/c4cs00048j

Source DB:  PubMed          Journal:  Chem Soc Rev        ISSN: 0306-0012            Impact factor:   54.564


  278 in total

Review 1.  Macromolecule diffusion and confinement in prokaryotic cells.

Authors:  Jacek T Mika; Bert Poolman
Journal:  Curr Opin Biotechnol       Date:  2010-10-16       Impact factor: 9.740

2.  Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs.

Authors:  Ron O Dror; Hillary F Green; Celine Valant; David W Borhani; James R Valcourt; Albert C Pan; Daniel H Arlow; Meritxell Canals; J Robert Lane; Raphaël Rahmani; Jonathan B Baell; Patrick M Sexton; Arthur Christopoulos; David E Shaw
Journal:  Nature       Date:  2013-10-13       Impact factor: 49.962

3.  On the importance of hydrodynamic interactions in lipid membrane formation.

Authors:  Tadashi Ando; Jeffrey Skolnick
Journal:  Biophys J       Date:  2013-01-08       Impact factor: 4.033

4.  Folding 19 proteins to their native state and stability of large proteins from a coarse-grained model.

Authors:  Abhijeet Kapoor; Alex Travesset
Journal:  Proteins       Date:  2013-10-17

5.  Intrinsic contribution of the 2'-hydroxyl to RNA conformational heterogeneity.

Authors:  Elizabeth J Denning; Alexander D MacKerell
Journal:  J Am Chem Soc       Date:  2012-01-27       Impact factor: 15.419

6.  Pulsed hydrogen-deuterium exchange mass spectrometry probes conformational changes in amyloid beta (Aβ) peptide aggregation.

Authors:  Ying Zhang; Don L Rempel; Jun Zhang; Anuj K Sharma; Liviu M Mirica; Michael L Gross
Journal:  Proc Natl Acad Sci U S A       Date:  2013-08-19       Impact factor: 11.205

7.  Probing the self-assembly mechanism of diphenylalanine-based peptide nanovesicles and nanotubes.

Authors:  Cong Guo; Yin Luo; Ruhong Zhou; Guanghong Wei
Journal:  ACS Nano       Date:  2012-04-09       Impact factor: 15.881

8.  Diffusion, crowding & protein stability in a dynamic molecular model of the bacterial cytoplasm.

Authors:  Sean R McGuffee; Adrian H Elcock
Journal:  PLoS Comput Biol       Date:  2010-03-05       Impact factor: 4.475

9.  HIV-1 IN alternative molecular recognition of DNA induced by raltegravir resistance mutations.

Authors:  Jean-François Mouscadet; Rohit Arora; Joseph André; Jean-Christophe Lambry; Olivier Delelis; Isabelle Malet; Anne-Geneviève Marcelin; Vincent Calvez; Luba Tchertanov
Journal:  J Mol Recognit       Date:  2009 Nov-Dec       Impact factor: 2.137

10.  Complex molecular assemblies at hand via interactive simulations.

Authors:  Olivier Delalande; Nicolas Férey; Gilles Grasseau; Marc Baaden
Journal:  J Comput Chem       Date:  2009-11-30       Impact factor: 3.376

View more
  31 in total

1.  HyRes: a coarse-grained model for multi-scale enhanced sampling of disordered protein conformations.

Authors:  Xiaorong Liu; Jianhan Chen
Journal:  Phys Chem Chem Phys       Date:  2017-12-13       Impact factor: 3.676

Review 2.  Amyloid β Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies.

Authors:  Jessica Nasica-Labouze; Phuong H Nguyen; Fabio Sterpone; Olivia Berthoumieu; Nicolae-Viorel Buchete; Sébastien Coté; Alfonso De Simone; Andrew J Doig; Peter Faller; Angel Garcia; Alessandro Laio; Mai Suan Li; Simone Melchionna; Normand Mousseau; Yuguang Mu; Anant Paravastu; Samuela Pasquali; David J Rosenman; Birgit Strodel; Bogdan Tarus; John H Viles; Tong Zhang; Chunyu Wang; Philippe Derreumaux
Journal:  Chem Rev       Date:  2015-03-19       Impact factor: 60.622

3.  Coarse-grained dynamic RNA titration simulations.

Authors:  S Pasquali; E Frezza; F L Barroso da Silva
Journal:  Interface Focus       Date:  2019-04-19       Impact factor: 3.906

4.  Conformational Ensembles of the Wild-Type and S8C Aβ1-42 Dimers.

Authors:  Viet Hoang Man; Phuong H Nguyen; Philippe Derreumaux
Journal:  J Phys Chem B       Date:  2017-03-10       Impact factor: 2.991

Review 5.  Multiscale simulation of molecular processes in cellular environments.

Authors:  Mara Chiricotto; Fabio Sterpone; Philippe Derreumaux; Simone Melchionna
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2016-11-13       Impact factor: 4.226

6.  High-Resolution Structures of the Amyloid-β 1-42 Dimers from the Comparison of Four Atomistic Force Fields.

Authors:  Viet Hoang Man; Phuong H Nguyen; Philippe Derreumaux
Journal:  J Phys Chem B       Date:  2017-06-07       Impact factor: 2.991

7.  Structure and conformational dynamics of scaffolded DNA origami nanoparticles.

Authors:  Keyao Pan; William P Bricker; Sakul Ratanalert; Mark Bathe
Journal:  Nucleic Acids Res       Date:  2017-06-20       Impact factor: 16.971

Review 8.  Recent advances in transferable coarse-grained modeling of proteins.

Authors:  Parimal Kar; Michael Feig
Journal:  Adv Protein Chem Struct Biol       Date:  2014-08-24       Impact factor: 3.507

9.  What Can Human-Guided Simulations Bring to RNA Folding?

Authors:  Liuba Mazzanti; Sébastien Doutreligne; Cedric Gageat; Philippe Derreumaux; Antoine Taly; Marc Baaden; Samuela Pasquali
Journal:  Biophys J       Date:  2017-06-22       Impact factor: 4.033

10.  Are coarse-grained models apt to detect protein thermal stability? The case of OPEP force field.

Authors:  Maria Kalimeri; Philippe Derreumaux; Fabio Sterpone
Journal:  J Non Cryst Solids       Date:  2014-07-22       Impact factor: 3.531

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.