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Structural and molecular dynamics investigations of ligand stabilization via secondary binding site interactions in Paenibacillus xylanivorans GH11 xylanase
Structural and molecular dynamics investigations of ligand stabilization via secondary binding site interactions in Paenibacillus xylanivorans GH11 xylanase
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Structural and molecular dynamics investigations of ligand stabilization via secondary binding site interactions in Paenibacillus xylanivorans GH11 xylanase

Lorenzo Briganti Caio Cesar de Mello Capetti; Vanessa de Oliveira Arnoldi Pellegrini; Silvina Ghio; Eleonora Campos; Alessandro Silva Nascimento; Igor Polikarpov

Computational and Structural Biotechnology Journal Amsterdam v. 19, p. 1557-1566, Mar. 2021

Amsterdam 2021

Localização: IFSC - Inst. Física de São Carlos    (PROD031420 )(Acessar)

2
A novel approach for studying receptor-ligand interactions on living cells surface by using NUS/T1ρ-NMR methodologies combined with computational techniques: The RGDechi15D-αvβ5 integrin complex
A novel approach for studying receptor-ligand interactions on living cells surface by using NUS/T1ρ-NMR methodologies combined with computational techniques: The RGDechi15D-αvβ5 integrin complex
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A novel approach for studying receptor-ligand interactions on living cells surface by using NUS/T1ρ-NMR methodologies combined with computational techniques: The RGDechi15D-αvβ5 integrin complex

Farina, Biancamaria ; Andrea, Corvino ; Del Gatto, Annarita ; Comegna, Daniela ; Di Gaetano, Sonia ; Capasso, Domenica ; Paladino, Antonella ; Acconcia, Clementina ; Gentile, Maria Teresa ; Saviano, Michele ; Fattorusso, Roberto ; Zaccaro, Laura ; Russo, Luigi

Computational and structural biotechnology journal, 2021-01, Vol.19, p.3303-3318 [Periódico revisado por pares]

Elsevier B.V

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3
Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA
Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA
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Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA

Cacciotto, Pierpaolo ; Basciu, Andrea ; Oliva, Francesco ; Malloci, Giuliano ; Zacharias, Martin ; Ruggerone, Paolo ; Vargiu, Attilio V.

Computational and structural biotechnology journal, 2022-01, Vol.20, p.252-260 [Periódico revisado por pares]

Netherlands: Elsevier B.V

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4
Buffering updates enables efficient dynamic de Bruijn graphs
Buffering updates enables efficient dynamic de Bruijn graphs
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Buffering updates enables efficient dynamic de Bruijn graphs

Alanko, Jarno ; Alipanahi, Bahar ; Settle, Jonathen ; Boucher, Christina ; Gagie, Travis

Computational and structural biotechnology journal, 2021-01, Vol.19, p.4067-4078 [Periódico revisado por pares]

Elsevier B.V

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5
CYCLOPEp Builder: Facilitating cyclic peptide and nanotube research through a user-friendly web platform
CYCLOPEp Builder: Facilitating cyclic peptide and nanotube research through a user-friendly web platform
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CYCLOPEp Builder: Facilitating cyclic peptide and nanotube research through a user-friendly web platform

Cabezón, Alfonso ; Suárez-Lestón, Fabián ; Granja, Juan R. ; Piñeiro, Ángel ; Garcia-Fandino, Rebeca

Computational and structural biotechnology journal, 2024-12, Vol.25, p.91-94 [Periódico revisado por pares]

Elsevier B.V

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6
A comprehensive evaluation of the potential binding poses of fentanyl and its analogs at the µ-opioid receptor
A comprehensive evaluation of the potential binding poses of fentanyl and its analogs at the µ-opioid receptor
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A comprehensive evaluation of the potential binding poses of fentanyl and its analogs at the µ-opioid receptor

Xie, Bing ; Goldberg, Alexander ; Shi, Lei

Computational and structural biotechnology journal, 2022-01, Vol.20, p.2309-2321 [Periódico revisado por pares]

Netherlands: Elsevier B.V

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7
Structural basis of the selective activation of enzyme isoforms: Allosteric response to activators of β1- and β2-containing AMPK complexes
Structural basis of the selective activation of enzyme isoforms: Allosteric response to activators of β1- and β2-containing AMPK complexes
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Structural basis of the selective activation of enzyme isoforms: Allosteric response to activators of β1- and β2-containing AMPK complexes

Aledavood, Elnaz ; Forte, Alessia ; Estarellas, Carolina ; Javier Luque, F.

Computational and structural biotechnology journal, 2021-01, Vol.19, p.3394-3406 [Periódico revisado por pares]

Netherlands: Elsevier B.V

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8
Mechanical couplings of protein backbone and side chains exhibit scale-free network properties and specific hotspots for function
Mechanical couplings of protein backbone and side chains exhibit scale-free network properties and specific hotspots for function
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Mechanical couplings of protein backbone and side chains exhibit scale-free network properties and specific hotspots for function

Raj, Nixon ; Click, Timothy ; Yang, Haw ; Chu, Jhih-Wei

Computational and structural biotechnology journal, 2021-01, Vol.19, p.5309-5320 [Periódico revisado por pares]

Elsevier B.V

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9
Exploring key features of selectivity in somatostatin receptors through molecular dynamics simulations
Exploring key features of selectivity in somatostatin receptors through molecular dynamics simulations
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Exploring key features of selectivity in somatostatin receptors through molecular dynamics simulations

Guccione, C. ; Gervasoni, S. ; Öztürk, I. ; Bosin, A. ; Ruggerone, P. ; Malloci, G.

Computational and structural biotechnology journal, 2024-12, Vol.23, p.1311-1319 [Periódico revisado por pares]

Elsevier B.V

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10
Structure-activity correlations for peptaibols obtained from clade Longibrachiatum of Trichoderma: A combined experimental and computational approach
Structure-activity correlations for peptaibols obtained from clade Longibrachiatum of Trichoderma: A combined experimental and computational approach
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Structure-activity correlations for peptaibols obtained from clade Longibrachiatum of Trichoderma: A combined experimental and computational approach

Balázs, Dóra ; Marik, Tamás ; Szekeres, András ; Vágvölgyi, Csaba ; Kredics, László ; Tyagi, Chetna

Computational and structural biotechnology journal, 2023-01, Vol.21, p.1860-1873 [Periódico revisado por pares]

Netherlands: Elsevier B.V

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