Search Results - "Simone Conti"
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Accurate and Efficient Calculation of the Desorption Energy of Small Molecules from Graphene
Published in Journal of physical chemistry. C (29-01-2015)“…Understanding the energetics of molecular adsorption at nanostructured carbon materials opens up to outstanding applications in the postgraphene era. The…”
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2
Estimation of the breadth of CD4bs targeting HIV antibodies by molecular modeling and machine learning
Published in PLoS computational biology (10-04-2019)“…HIV is a highly mutable virus for which all attempts to develop a vaccine have been unsuccessful. Nevertheless, few long-infected patients develop antibodies,…”
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3
MIRAGAIA TAIL BIOMECHANICS AND DEFENCES. EVALUATION OF THE TAIL MOBILITY AND RESISTANCE TO LOADINGS AND COLLISIONS
Published in Rivista italiana di paleontologia e stratigrafia (01-07-2024)“…Thyreophora is a taxon of dinosaurs composed of Stegosauria and Ankylosauria, whose members have been known to utilise their tails as powerful defensive…”
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4
Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV
Published in PLoS computational biology (20-04-2022)“…The design of vaccines against highly mutable pathogens, such as HIV and influenza, requires a detailed understanding of how the adaptive immune system…”
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5
Multibody analysis and soft tissue strength refute supersonic dinosaur tail
Published in Scientific reports (08-12-2022)“…Sauropod dinosaurs are well known for their massive sizes and long necks and tails. Among sauropods, flagellicaudatan dinosaurs are characterized by extreme…”
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6
A Supramolecular Strategy to Leverage the Liquid-Phase Exfoliation of Graphene in the Presence of Surfactants: Unraveling the Role of the Length of Fatty Acids
Published in Small (Weinheim an der Bergstrasse, Germany) (08-04-2015)“…Achieving the full control over the production as well as processability of high‐quality graphene represents a major challenge with potential interest in the…”
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7
Surface-Induced Selection During In Situ Photoswitching at the Solid/Liquid Interface
Published in Angewandte Chemie International Edition (13-04-2015)“…Here we report for the first time a submolecularly resolved scanning tunneling microscopy (STM) study at the solid/liquid interface of the in situ reversible…”
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8
Smart Biomechanical Adaptation Revealed by the Structure of Ostrich Limb Bones
Published in Biomimetics (Basel, Switzerland) (28-02-2023)“…Ostriches are known to be the fastest bipedal animal alive; to accomplish such an achievement, their anatomy evolved to sustain the stresses imposed by running…”
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9
Wordom update 2: A user-friendly program for the analysis of molecular structures and conformational ensembles
Published in Computational and structural biotechnology journal (01-01-2023)“…We present the second update of Wordom, a user-friendly and efficient program for manipulation and analysis of conformational ensembles from molecular…”
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10
On the Rapid Calculation of Binding Affinities for Antigen and Antibody Design and Affinity Maturation Simulations
Published in Antibodies (Basel) (03-08-2022)“…The accurate and efficient calculation of protein-protein binding affinities is an essential component in antibody and antigen design and optimization, and in…”
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Investigação das relações de autoritarismo e poder nos textos de Caio Fernando Abreu e João Simões Lopes Neto
Published in Literatura e autoritarismo (01-03-2022)“…O presente trabalho tem por objetivo analisar o preconceito - enquanto elemento presente na constituição e formação de sociedades patriarcais - a partir da…”
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12
ppdx: Automated modeling of protein–protein interaction descriptors for use with machine learning
Published in Journal of computational chemistry (30-09-2022)“…This paper describes ppdx, a python workflow tool that combines protein sequence alignment, homology modeling, and structural refinement, to compute a broad…”
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13
Surface-Induced Selection During In Situ Photoswitching at the Solid/Liquid Interface
Published in Angewandte Chemie (13-04-2015)“…Here we report for the first time a submolecularly resolved scanning tunneling microscopy (STM) study at the solid/liquid interface of the in situ reversible…”
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14
Enterobacteriaceae and pseudomonadaceae on the dorsum of the human tongue
Published in Journal of applied oral science (01-10-2009)“…The aim of this study was to correlate the presence of Enterobacteriaceae, Pseudomonadaceae, Moraxellaceae and Xanthomonadaceae on the posterior dorsum of the…”
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15
Persulfurated Benzene‐Cored Asterisks with π‐Extended ThioNaphthyl Arms: Synthesis, Structural, Photophysical and Covalent Dynamic Properties
Published in Chemistry : a European journal (16-08-2022)“…The synthesis of regioisomeric asterisks (5) and (6) incorporating a benzene core with six 1‐naphthylthio or six 2‐naphthylthio arms are reported in search for…”
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16
Ou sou ninguém ou sou uma nação: reflexões sobre identidade e alteridade
Published in Literatura e autoritarismo (01-12-2011)“…Este artigo tem por objetivo propor uma análise das obras A fantástica vida breve de Oscar Wao, de Junot Diaz, e O álbum negro, de Hanif Kureishi, a qual…”
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17
Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV
Published in PLoS computational biology (01-04-2022)“…The design of vaccines against highly mutable pathogens, such as HIV and influenza, requires a detailed understanding of how the adaptive immune system…”
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18
Design of immunogens to elicit broadly neutralizing antibodies against HIV targeting the CD4 binding site
Published in Proceedings of the National Academy of Sciences - PNAS (02-03-2021)“…A vaccine which is effective against the HIV virus is considered to be the best solution to the ongoing global HIV/AIDS epidemic. In the past thirty years,…”
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19
Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model
Published in Journal of chemical theory and computation (10-03-2020)“…We describe the development and implementation of a quasi-equilibrium hydration shell model of biomolecular solvation with adaptive boundaries. Applying the…”
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20
Strategy for the development of a new stick formula without microplastics
Published in Sustainable chemistry and pharmacy (01-02-2024)“…Plastic is a synthetic, malleable, and durable material that has been used for various applications since its invention in the late 19th century. During its…”
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