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Small Angle X-ray Scattering, Molecular Modeling, and Chemometric Studies from a Thrombin-Like (Lmr-47) Enzyme of Lachesis m. rhombeata Venom

Autor: Salvatore Giovanni De-Simone, Guilherme Curty Lechuga, Paloma Napoleão-Pêgo, Larissa Rodrigues Gomes, David William Provance, Vinícius Dias Nirello, Ana Carolina Rennó Sodero, Herbert Leonel de Mattos Guedes

Publikováno v: Molecules, Vol 26, Iss 13, p 3930 (2021)

Introduction: Snakebite envenomation is considered a neglected tropical disease, and SVTLEs critical elements are involved in serious coagulopathies that occur on envenoming. Although some enzymes of this group have been structurally investigated, it

Externí odkaz: https://doaj.org/article/2ae7284302b44eb5af8fc56107d6e206

Colloidal and Protein Self-Assembly with Shape-Based Models

Autor: Gao, Fengyi

The huge computational expense of atomistic simulations of protein-protein interactions and the lack of mechanistic detail in heuristic methods motivate the development of colloid-like models for proteins. Patchy particle "minimal" models of anisotro

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::70724bd93ee59caf1915f80fda756f8c

Comparative Evaluation of Shape Retrieval Methods on Macromolecular Surfaces: An Application of Computer Vision Methods in Structural Bioinformatics

Autor: Nathalie Lagarde, Florent Langenfeld, Léa Sirugue, Daniela Craciun, Maxime Maria, Taoufik Labib, Matthieu Montes, Mickael Machat

Publikováno v: Bioinformatics

Motivation The investigation of the structure of biological systems at the molecular level gives insights about their functions and dynamics. Shape and surface of biomolecules are fundamental to molecular recognition events. Characterizing their geom

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::821106a65540f5ffbe1c69caa855bb20
https://zenodo.org/record/5113141

SHREC2020 track: Multi-domain protein shape retrieval challenge

Autor: Florent Langenfeld, David Hunter, Matthieu Montes, Karim Hammoudi, Daisuke Kihara, Feryal Windal, Yu-Kun Lai, Ekpo Otu, Paul L. Rosin, Stelios K. Mylonas, Petros Daras, Apostolos Axenopoulos, Halim Benhabiles, Reyer Zwiggelaar, Andrea Giachetti, Charles Christoffer, Adnane Cabani, Tunde Aderinwale, Yuxu Peng, Yonghuai Liu, Mahmoud Melkemi, Genki Terashi

Publikováno v: Computers and Graphics
Computers and Graphics, Elsevier, 2020, 91, pp.189-198. ⟨10.1016/j.cag.2020.07.013⟩
Computers & Graphics
Computers and Graphics, 2020, 91, pp.189-198. ⟨10.1016/j.cag.2020.07.013⟩

[#17491] article suite à une conférence orale: 13th EG Euroworkshop on 3D object retrieval, 3DOR 2020, Graz, Austria, september 4-5, 2020; International audience; Proteins are natural modular objects usually composed of several domains, each domain

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca77de2112dc6449e41847eefc6ba5d9
http://hdl.handle.net/11562/1030083