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1.
Structural and Dynamic-Based Characterization of the Recognition Patterns of E7 and TRP-2 Epitopes by MHC Class I Receptors through Computational Approaches.
Int J Mol Sci
; 25(3)2024 Jan 23.
Article
in English
| MEDLINE | ID: mdl-38338663
2.
Atomic-Level View of the Functional Transition in Vertebrate Hemoglobins: The Case of Antarctic Fish Hbs.
J Chem Inf Model
; 62(16): 3874-3884, 2022 08 22.
Article
in English
| MEDLINE | ID: mdl-35930673
3.
Copper (I) or (II) Replacement of the Structural Zinc Ion in the Prokaryotic Zinc Finger Ros Does Not Result in a Functional Domain.
Int J Mol Sci
; 23(19)2022 Sep 20.
Article
in English
| MEDLINE | ID: mdl-36232306
4.
High-Resolution Conformational Analysis of RGDechi-Derived Peptides Based on a Combination of NMR Spectroscopy and MD Simulations.
Int J Mol Sci
; 23(19)2022 Sep 20.
Article
in English
| MEDLINE | ID: mdl-36232339
5.
Structural Model for Recruitment of RIT1 to the LZTR1 E3 Ligase: Evidences from an Integrated Computational Approach.
J Chem Inf Model
; 61(4): 1875-1888, 2021 04 26.
Article
in English
| MEDLINE | ID: mdl-33792302
6.
Chemical Perturbation of Oncogenic Protein Folding: from the Prediction of Locally Unstable Structures to the Design of Disruptors of Hsp90-Client Interactions.
Chemistry
; 26(43): 9459-9465, 2020 Aug 03.
Article
in English
| MEDLINE | ID: mdl-32167602
7.
Mechanistic Model for the Hsp90-Driven Opening of Human Argonaute.
J Chem Inf Model
; 60(3): 1469-1480, 2020 03 23.
Article
in English
| MEDLINE | ID: mdl-32096993
8.
Cooperative Binding of the Cationic Porphyrin Tris-T4 Enhances Catalytic Activity of 20S Proteasome Unveiling a Complex Distribution of Functional States.
Int J Mol Sci
; 21(19)2020 Sep 29.
Article
in English
| MEDLINE | ID: mdl-33003385
9.
The Importance of Detail: How Differences in Ligand Structures Determine Distinct Functional Responses in Integrin αv ß3.
Chemistry
; 25(23): 5959-5970, 2019 Apr 23.
Article
in English
| MEDLINE | ID: mdl-30811704
10.
Exploring the antimalarial potential of the methoxy-thiazinoquinone scaffold: Identification of a new lead candidate.
Bioorg Chem
; 85: 240-252, 2019 04.
Article
in English
| MEDLINE | ID: mdl-30640072
11.
High Affinity vs. Native Fibronectin in the Modulation of αvß3 Integrin Conformational Dynamics: Insights from Computational Analyses and Implications for Molecular Design.
PLoS Comput Biol
; 13(1): e1005334, 2017 01.
Article
in English
| MEDLINE | ID: mdl-28114375
12.
Structural Characterization of the Lactobacillus Plantarum FlmC Protein Involved in Biofilm Formation.
Molecules
; 23(9)2018 Sep 04.
Article
in English
| MEDLINE | ID: mdl-30181476
13.
Structural Stability and Flexibility Direct the Selection of Activating Mutations in Epidermal Growth Factor Receptor Kinase.
J Chem Inf Model
; 55(7): 1377-87, 2015 Jul 27.
Article
in English
| MEDLINE | ID: mdl-26121158
14.
Molecular basis of substrate-induced permeation by an amino acid antiporter.
Proc Natl Acad Sci U S A
; 108(10): 3935-40, 2011 Mar 08.
Article
in English
| MEDLINE | ID: mdl-21368142
15.
The Action of Chemical Denaturants: From Globular to Intrinsically Disordered Proteins.
Biology (Basel)
; 12(5)2023 May 22.
Article
in English
| MEDLINE | ID: mdl-37237566
16.
A Protein Data Bank survey of multimodal binding of thiocyanate to proteins: Evidence for thiocyanate promiscuity.
Int J Biol Macromol
; 208: 29-36, 2022 May 31.
Article
in English
| MEDLINE | ID: mdl-35259436
17.
The dynamics of t1 adenosine binding on human Argonaute 2: Understanding recognition with conformational selection.
Protein Sci
; 31(8): e4377, 2022 08.
Article
in English
| MEDLINE | ID: mdl-35900022
18.
A Structure-Based Mechanism for the Denaturing Action of Urea, Guanidinium Ion and Thiocyanate Ion.
Biology (Basel)
; 11(12)2022 Dec 05.
Article
in English
| MEDLINE | ID: mdl-36552273
19.
A novel approach for studying receptor-ligand interactions on living cells surface by using NUS/T1ρ-NMR methodologies combined with computational techniques: The RGDechi15D-αvß5 integrin complex.
Comput Struct Biotechnol J
; 19: 3303-3318, 2021.
Article
in English
| MEDLINE | ID: mdl-34188779
20.
Role of the conformational versatility of the neurotrophin N-terminal regions in their recognition by Trk receptors.
Biophys J
; 99(7): 2273-8, 2010 Oct 06.
Article
in English
| MEDLINE | ID: mdl-20923662