Detalhe da pesquisa
1.
Expanding the molecular spectrum of pathogenic SHOC2 variants underlying Mazzanti syndrome.
Hum Mol Genet
; 31(16): 2766-2778, 2022 08 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-35348676
2.
Conformational response to ligand binding of TMPRSS2, a protease involved in SARS-CoV-2 infection: Insights through computational modeling.
Proteins
; 91(9): 1288-1297, 2023 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37409524
3.
Computational Study of Helicase from SARS-CoV-2 in RNA-Free and Engaged Form.
Int J Mol Sci
; 23(23)2022 Nov 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-36499049
4.
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm.
J Chem Phys
; 153(12): 124110, 2020 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33003701
5.
Clinical and functional characterization of a novel RASopathy-causing SHOC2 mutation associated with prenatal-onset hypertrophic cardiomyopathy.
Hum Mutat
; 40(8): 1046-1056, 2019 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-31059601
6.
Biallelic Mutations in TBCD, Encoding the Tubulin Folding Cofactor D, Perturb Microtubule Dynamics and Cause Early-Onset Encephalopathy.
Am J Hum Genet
; 99(4): 962-973, 2016 Oct 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-27666370
7.
Two-level stochastic search of low-energy conformers for molecular spectroscopy: implementation and validation of MM and QM models.
Phys Chem Chem Phys
; 21(36): 19921-19934, 2019 Sep 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-31475256
8.
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects.
J Chem Phys
; 150(12): 124102, 2019 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30927869
9.
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches.
Biopolymers
; 109(10): e23109, 2018 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-29520768
10.
Electrostatic and Structural Bases of Fe2+ Translocation through Ferritin Channels.
J Biol Chem
; 291(49): 25617-25628, 2016 Dec 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-27756844
11.
Introducing an artificial photo-switch into a biological pore: A model study of an engineered α-hemolysin.
Biochim Biophys Acta
; 1858(4): 689-97, 2016 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-26744229
12.
Smyd3 open & closed lock mechanism for substrate recruitment: The hinge motion of C-terminal domain inferred from µ-second molecular dynamics simulations.
Biochim Biophys Acta
; 1860(7): 1466-74, 2016 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-27085704
13.
Duane retraction syndrome characterized by inner ear agenesis and neurodevelopmental phenotype in an Italian family with a variant in MAFB.
Clin Genet
; 101(3): 377-378, 2022 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34964110
14.
Understanding the role of dynamics in the iron sulfur cluster molecular machine.
Biochim Biophys Acta Gen Subj
; 1861(1 Pt A): 3154-3163, 2017 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-27474202
15.
Computational study of the DPAP molecular rotor in various environments: from force field development to molecular dynamics simulations and spectroscopic calculations.
Phys Chem Chem Phys
; 19(45): 30590-30602, 2017 Nov 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-29115317
16.
The role of Tat peptide self-aggregation in membrane pore stabilization: insights from a computational study.
Phys Chem Chem Phys
; 19(40): 27603-27610, 2017 Oct 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-28980686
17.
Conformational Dynamics of Lysine Methyltransferase Smyd2. Insights into the Different Substrate Crevice Characteristics of Smyd2 and Smyd3.
J Chem Inf Model
; 56(12): 2467-2475, 2016 12 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-27959541
18.
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides.
Phys Chem Chem Phys
; 18(30): 20389-98, 2016 Jul 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-27402118
19.
Co-evolutionary analysis implies auxiliary functions of HSP110 in Plasmodium falciparum.
Proteins
; 83(8): 1513-25, 2015 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-26052682
20.
Boundary condition effects on the dynamic and electric properties of hydration layers.
J Phys Chem A
; 119(21): 5465-75, 2015 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25752804