Conrado Pedebos
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Atomic Model and Micelle Dynamics of QS-21 Saponin
C Pedebos, L Pol-Fachin, R Pons, CV Teixeira, H Verli
Molecules 19 (3), 3744-3760, 2014
CoCo-MD: A Simple and Effective Method for the Enhanced Sampling of Conformational Space
A Shkurti, ID Styliari, V Balasubramanian, I Bethune, C Pedebos, S Jha, ...
Journal of Chemical Theory and Computation, 2019
Improving the Thrombin Inhibitory Activity of Glycyrrhizin, a Triterpenic Saponin, Through a Molecular Simplification of the Carbohydrate Moiety
FT Paula, PQ Frauches, C Pedebos, M Berger, SCB Gnoatto, ...
Chemical biology & drug design 82 (6), 756-760, 2013
Unrestrained Conformational Characterization of Stenocereus eruca Saponins in Aqueous and Nonaqueous Solvents
C Pedebos, L Pol-Fachin, H Verli
Journal of Natural Products 75 (6), 1196-1200, 2012
In silico Investigation of the PglB Active Site Reveals Transient Catalytic States and Octahedral Metal Ion Coordination
C Pedebos, PR Arantes, GM Giesel, H Verli
Glycobiology 25 (11), 1183-1195, 2015
Development of GROMOS-Compatible Parameter Set for Simulations of Chalcones and Flavonoids
PR Arantes, MD Polêto, EBO John, C Pedebos, BI Grisci, M Dorn, H Verli
The Journal of Physical Chemistry B 123 (5), 994-1008, 2019
Dynamics of DDB2-DDB1 complex under different naturally-occurring mutants in Xeroderma Pigmentosum disease
BC Feltes, C Pedebos, D Bonatto, H Verli
Biochimica et Biophysica Acta (BBA)-General Subjects 1862 (12), 2579-2589, 2018
The hitchhiker's guide to the periplasm: unexpected molecular interactions of polymyxin B1 in E. coli
C Pedebos, IPS Smith, A Boags, S Khalid
Structure, 2021
The role of Zn2+, dimerization and N-glycosylation in the interaction of Auxin-Binding Protein 1 (ABP1) with different auxins
CT da Costa, C Pedebos, H Verli, AG Fett-Neto
Glycobiology 27 (12), 1109-1119, 2017
Uncovering cryptic pockets in the SARS-CoV-2 spike glycoprotein
L Zuzic, F Samsudin, AT Shivgan, PV Raghuvamsi, JK Marzinek, A Boags, ...
BioRXiv, 2021
The Lazy Life of Lipid-Linked Oligosaccharides in All Life Domains
PR Arantes, C Pedebos, MD Polêto, L Pol-Fachin, H Verli
Journal of Chemical Information and Modeling 60 (2), 631-643, 2019
Modifying the catalytic preference of alpha-amylase toward n-alkanes for bioremediation purposes using in silico strategies
ÉSM Pinto, BC Feltes, C Pedebos, M Dorn
Journal of Computational Chemistry, 2021
Structural basis for silicon uptake by higher plants
B van den Berg, C Pedebos, JR Bolla, CV Robinson, A Basle, S Khalid
bioRxiv, 2021
Evolution of an amniote-specific mechanism for modulating ubiquitin signalling via phosphoregulation of the E2 enzyme UBE2D3
M Roman-Trufero, CM Ito, C Pedebos, I Magdalou, YF Wang, MM Karimi, ...
Molecular Biology and Evolution, 2020
Assessment of Structural Units Deletions in the Archaeal Oligosaccharyltransferase AglB
C Pedebos, H Verli
bioRxiv, 2020
Uncovering cryptic pockets in the SARS-CoV-2 spike glycoprotein–Supplementary Material
L Zuzic, F Samsudin, AT Shivgan, PV Raghuvamsi, JK Marzinek, A Boags, ...
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