Detalhe da pesquisa
1.
DeepRank-GNN: a graph neural network framework to learn patterns in protein-protein interfaces.
Bioinformatics
; 39(1)2023 01 01.
Artigo
Inglês
| MEDLINE | ID: mdl-36420989
2.
iScore: a novel graph kernel-based function for scoring protein-protein docking models.
Bioinformatics
; 36(1): 112-121, 2020 01 01.
Artigo
Inglês
| MEDLINE | ID: mdl-31199455
3.
The effect of the magnitude and direction of the dipoles of organic cations on the electronic structure of hybrid halide perovskites.
Phys Chem Chem Phys
; 21(30): 16564-16572, 2019 Aug 14.
Artigo
Inglês
| MEDLINE | ID: mdl-31313778
4.
High Electronic Conductance through Double-Helix DNA Molecules with Fullerene Anchoring Groups.
J Phys Chem A
; 121(6): 1182-1188, 2017 Feb 16.
Artigo
Inglês
| MEDLINE | ID: mdl-28094940
5.
Computational design of donor-bridge-acceptor systems exhibiting pronounced quantum interference effects.
Phys Chem Chem Phys
; 18(9): 6773-9, 2016 Mar 07.
Artigo
Inglês
| MEDLINE | ID: mdl-26878200
6.
Impact of a single base pair substitution on the charge transfer rate along short DNA hairpins.
Proc Natl Acad Sci U S A
; 110(37): 14867-71, 2013 Sep 10.
Artigo
Inglês
| MEDLINE | ID: mdl-23980166
7.
Charge Transport across DNA-Based Three-Way Junctions.
J Am Chem Soc
; 137(15): 5113-22, 2015 Apr 22.
Artigo
Inglês
| MEDLINE | ID: mdl-25822073
8.
Different mechanisms for hole and electron transfer along identical molecular bridges: the importance of the initial state delocalization.
J Phys Chem A
; 118(22): 3891-8, 2014 Jun 05.
Artigo
Inglês
| MEDLINE | ID: mdl-24828209
9.
Between superexchange and hopping: an intermediate charge-transfer mechanism in poly(A)-poly(T) DNA hairpins.
J Am Chem Soc
; 135(10): 3953-63, 2013 Mar 13.
Artigo
Inglês
| MEDLINE | ID: mdl-23402652
10.
CHROMagar Yersinia, a new chromogenic agar for screening of potentially pathogenic Yersinia enterocolitica isolates in stools.
J Clin Microbiol
; 51(4): 1184-7, 2013 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-23363840
11.
Quantum interferences and electron transfer in photosystem I.
J Phys Chem A
; 117(29): 5899-908, 2013 Jul 25.
Artigo
Inglês
| MEDLINE | ID: mdl-23134639
12.
Antimicrobial-Resistant Bacteria Carriage in Rodents According to Habitat Anthropization.
Ecohealth
; 20(1): 84-92, 2023 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-37140742
13.
Single molecule logical devices.
Top Curr Chem
; 313: 217-68, 2012.
Artigo
Inglês
| MEDLINE | ID: mdl-21826604
14.
PANDORA: A Fast, Anchor-Restrained Modelling Protocol for Peptide: MHC Complexes.
Front Immunol
; 13: 878762, 2022.
Artigo
Inglês
| MEDLINE | ID: mdl-35619705
15.
Multiresistant Enterobacteriaceae in yellow-legged gull chicks in their first weeks of life.
Ecol Evol
; 12(6): e8974, 2022 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-35784041
16.
DeepRank: a deep learning framework for data mining 3D protein-protein interfaces.
Nat Commun
; 12(1): 7068, 2021 12 03.
Artigo
Inglês
| MEDLINE | ID: mdl-34862392
17.
Embolus Retriever with Interlinked Cages (ERIC) versus conventional stent retrievers for thrombectomy: a propensity score-based analysis.
J Neurointerv Surg
; 13(3): 255-260, 2021 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-32606101
18.
iScore: An MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machines.
SoftwareX
; 112020.
Artigo
Inglês
| MEDLINE | ID: mdl-35419466
19.
Signatures of Conformational Dynamics and Electrode-Molecule Interactions in the Conductance Profile During Pulling of Single-Molecule Junctions.
J Phys Chem Lett
; 9(4): 745-750, 2018 Feb 15.
Artigo
Inglês
| MEDLINE | ID: mdl-29369638
20.
Computational Design of Two-Dimensional Perovskites with Functional Organic Cations.
J Phys Chem C Nanomater Interfaces
; 122(30): 17118-17122, 2018 Aug 02.
Artigo
Inglês
| MEDLINE | ID: mdl-30093930