Detalhe da pesquisa
1.
Publisher Correction: Genomic insights into the 2016-2017 cholera epidemic in Yemen.
Nature
; 566(7745): E14, 2019 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-30755740
2.
Genomic insights into the 2016-2017 cholera epidemic in Yemen.
Nature
; 565(7738): 230-233, 2019 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30602788
3.
Conformational Space of the Translocation Domain of Botulinum Toxin: Atomistic Modeling and Mesoscopic Description of the Coiled-Coil Helix Bundle.
Int J Mol Sci
; 25(5)2024 Feb 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-38473729
4.
New Crystal Form of Human Neuropilin-1 b1 Fragment with Six Electrostatic Mutations Complexed with KDKPPR Peptide Ligand.
Molecules
; 28(14)2023 Jul 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37513474
5.
Conformational Insights into the Control of CNF1 Toxin Activity by Peptidyl-Prolyl Isomerization: A Molecular Dynamics Perspective.
Int J Mol Sci
; 22(18)2021 Sep 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-34576292
6.
Systematic Exploration of Protein Conformational Space Using a Distance Geometry Approach.
J Chem Inf Model
; 59(10): 4486-4503, 2019 10 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-31442036
7.
Minimal NMR distance information for rigidity of protein graphs.
Discrete Appl Math
; 256: 91-104, 2019 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30799888
8.
re-TAMD: exploring interactions between H3 peptide and YEATS domain using enhanced sampling.
BMC Struct Biol
; 18(1): 4, 2018 04 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-29615024
9.
Closed-Locked and Apo-Resting State Structures of the Human α7 Nicotinic Receptor: A Computational Study.
J Chem Inf Model
; 58(11): 2278-2293, 2018 11 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-30359518
10.
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.
Bioinformatics
; 32(1): 85-95, 2016 Jan 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-26351271
11.
Modification in hydrophobic packing of HAMP domain induces a destabilization of the auto-phosphorylation site in the histidine kinase CpxA.
Biopolymers
; 105(10): 670-82, 2016 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-27124288
12.
Building Graphs To Describe Dynamics, Kinetics, and Energetics in the d-ALa:d-Lac Ligase VanA.
J Chem Inf Model
; 56(9): 1762-75, 2016 09 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-27579990
13.
Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis.
BMC Bioinformatics
; 16: 93, 2015 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-25888251
14.
An algorithm to enumerate all possible protein conformations verifying a set of distance constraints.
BMC Bioinformatics
; 16: 23, 2015 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25627244
15.
Allosteric activation of Bordetella pertussis adenylyl cyclase by calmodulin: molecular dynamics and mutagenesis studies.
J Biol Chem
; 289(30): 21131-41, 2014 Jul 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-24907274
16.
Improved reliability, accuracy and quality in automated NMR structure calculation with ARIA.
J Biomol NMR
; 62(4): 425-38, 2015 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-25861734
17.
Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets.
J Chem Inf Model
; 55(7): 1413-25, 2015 Jul 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-26038978
18.
Temperature-accelerated molecular dynamics gives insights into globular conformations sampled in the free state of the AC catalytic domain.
Proteins
; 82(10): 2483-96, 2014 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-24863163
19.
Stabilization of the integrase-DNA complex by Mg2+ ions and prediction of key residues for binding HIV-1 integrase inhibitors.
Proteins
; 82(3): 466-78, 2014 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-24038133
20.
Functional motions modulating VanA ligand binding unraveled by self-organizing maps.
J Chem Inf Model
; 54(1): 289-301, 2014 Jan 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-24397493