Detalhe da pesquisa
1.
A topological order parameter for describing folding free energy landscapes of proteins.
J Chem Phys
; 149(17): 175101, 2018 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30408975
2.
Kinetics and mechanical stability of the fibril state control fibril formation time of polypeptide chains: A computational study.
J Chem Phys
; 148(21): 215106, 2018 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-29884031
3.
Modeling of Protein Structural Flexibility and Large-Scale Dynamics: Coarse-Grained Simulations and Elastic Network Models.
Int J Mol Sci
; 19(11)2018 Nov 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-30404229
4.
Role of Resultant Dipole Moment in Mechanical Dissociation of Biological Complexes.
Molecules
; 23(8)2018 Aug 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-30103417
5.
Modeling of protein-peptide interactions using the CABS-dock web server for binding site search and flexible docking.
Methods
; 93: 72-83, 2016 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26165956
6.
Switch from thermal to force-driven pathways of protein refolding.
J Chem Phys
; 146(13): 135101, 2017 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28390358
7.
Preformed template fluctuations promote fibril formation: insights from lattice and all-atom models.
J Chem Phys
; 142(14): 145104, 2015 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-25877597
8.
A structure-based model fails to probe the mechanical unfolding pathways of the titin I27 domain.
J Chem Phys
; 139(6): 065103, 2013 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-23947893
9.
Combining coarse-grained protein models with replica-exchange all-atom molecular dynamics.
Int J Mol Sci
; 14(5): 9893-905, 2013 May 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-23665897
10.
Final Remarks.
Methods Mol Biol
; 2340: 469-470, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-35167086
11.
Velocity scaling for optimizing replica exchange molecular dynamics.
J Chem Phys
; 134(4): 044124, 2011 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-21280704
12.
Mechanical unfolding of acylphosphatase studied by single-molecule force spectroscopy and MD simulations.
Biophys J
; 99(1): 238-47, 2010 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-20655852
13.
A numerical investigation into possible mechanisms by that the A629P mutant of ATP7A causes Menkes Disease.
Phys Chem Chem Phys
; 12(37): 11390-7, 2010 Oct 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-20714486
14.
Relationship between population of the fibril-prone conformation in the monomeric state and oligomer formation times of peptides: insights from all-atom simulations.
J Chem Phys
; 132(16): 165104, 2010 Apr 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-20441312
15.
Rapid self-association of highly amyloidogenic H-fragments of insulin: Experiment and molecular dynamics simulations.
Int J Biol Macromol
; 150: 894-903, 2020 May 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-32070740
16.
Dependence of protein mechanical unfolding pathways on pulling speeds.
J Chem Phys
; 130(14): 145102, 2009 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-19368475
17.
Protein mechanical unfolding: Importance of non-native interactions.
J Chem Phys
; 131(21): 215103, 2009 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-19968370
18.
The GOR Method of Protein Secondary Structure Prediction and Its Application as a Protein Aggregation Prediction Tool.
Methods Mol Biol
; 1484: 7-24, 2017.
Artigo
em Inglês
| MEDLINE | ID: mdl-27787816
19.
Fast and Accurate Accessible Surface Area Prediction Without a Sequence Profile.
Methods Mol Biol
; 1484: 127-136, 2017.
Artigo
em Inglês
| MEDLINE | ID: mdl-27787824
20.
Folding simulations of the A and B domains of protein G.
J Phys Chem B
; 116(23): 6645-53, 2012 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-22214186