Detalhe da pesquisa
1.
Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach.
J Chem Inf Model
; 2024 Jun 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38861396
2.
On the use of intra-molecular distance and angle constraints to lengthen the time step in molecular and stochastic dynamics simulations of proteins.
Proteins
; 90(2): 543-559, 2022 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-34569110
3.
Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? A case study using hen lysozyme.
Eur Biophys J
; 51(3): 265-282, 2022 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-35303138
4.
On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteins.
J Comput Chem
; 42(18): 1263-1282, 2021 07 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33951201
5.
A method to apply bond-angle constraints in molecular dynamics simulations.
J Comput Chem
; 42(6): 418-434, 2021 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33351979
6.
On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems: Overview and Perspective on Issues.
Chemphyschem
; 22(3): 264-282, 2021 02 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-33377305
7.
Algorithms to apply dihedral-angle constraints in molecular or stochastic dynamics simulations.
J Chem Phys
; 152(2): 024109, 2020 Jan 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-31941329
8.
Studying metal ion binding properties of a three-way junction RNA by heteronuclear NMR.
J Biol Inorg Chem
; 21(3): 319-28, 2016 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-26880094
9.
Multiple Binding Poses in the Hydrophobic Cavity of Bee Odorant Binding Protein AmelOBP14.
J Chem Inf Model
; 55(12): 2633-43, 2015 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-26633245
10.
The structural stabilization of the κ three-way junction by Mg(II) represents the first step in the folding of a group II intron.
Nucleic Acids Res
; 41(4): 2489-504, 2013 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-23275550
11.
Protonation-Dependent Base Flipping at Neutral pH in the Catalytic Triad of a Self-Splicing Bacterial Groupâ II Intron.
Angew Chem Int Ed Engl
; 54(33): 9687-90, 2015 Aug 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-26119804
12.
Insights into structural features determining odorant affinities to honey bee odorant binding protein 14.
Biochem Biophys Res Commun
; 446(4): 1042-6, 2014 Apr 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-24661875
13.
Structure and conformational dynamics of the domain 5 RNA hairpin of a bacterial group II intron revealed by solution nuclear magnetic resonance and molecular dynamics simulations.
Biochemistry
; 52(40): 7099-113, 2013 Oct 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-24001362
14.
A Method to Derive Structural Information on Molecules from Residual Dipolar Coupling NMR Data.
J Phys Chem B
; 126(21): 3867-3888, 2022 06 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-35588494
15.
Saturation Mutagenesis by Efficient Free-Energy Calculation.
J Chem Theory Comput
; 14(2): 894-904, 2018 Feb 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-29262673
16.
Exploring genetic suppression interactions on a global scale.
Science
; 354(6312)2016 11 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-27811238
17.
Processing of complex N-glycans in IgG Fc-region is affected by core fucosylation.
MAbs
; 7(5): 863-70, 2015.
Artigo
em Inglês
| MEDLINE | ID: mdl-26067753
18.
Characterization of metal ion-nucleic acid interactions in solution.
Met Ions Life Sci
; 10: 1-42, 2012.
Artigo
em Inglês
| MEDLINE | ID: mdl-22210334
19.
Can soaked-in scavengers protect metalloprotein active sites from reduction during data collection?
J Synchrotron Radiat
; 16(Pt 2): 191-204, 2009 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-19240331