Publications by authors named "Neva Besker"

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Conformational response to ligand binding of TMPRSS2, a protease involved in SARS-CoV-2 infection: Insights through computational modeling.
Giorgia Frumenzio, Balasubramanian Chandramouli, Neva Besker, Alessandro Grottesi, Carmine Talarico

Proteins· September 2023

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Computational Studies of SARS-CoV-2 3CLpro: Insights from MD Simulations.
Alessandro Grottesi, Neva Bešker, Andrew Emerson, Candida Manelfi, Andrea R Beccari

Int J Mol Sci· July 2020

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Key Players in I-DmoI Endonuclease Catalysis Revealed from Structure and Dynamics.
Rafael Molina, Neva Besker, Maria Jose Marcaida, Guillermo Montoya, Jesús Prieto

ACS Chem Biol· May 2016

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Kinetics and mechanistic study of competitive inhibition of thymidine phosphorylase by 5-fluoruracil derivatives.
Manuela Petaccia, Patrizia Gentili, Neva Bešker, Marco D'Abramo, Luisa Giansanti

Colloids Surf B Biointerfaces· April 2016

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Molecular Packing in Langmuir Monolayers Composed of a Phosphatidylcholine and a Pyrene Lipid.
Denise Gradella Villalva, Marco Diociaiuti, Luisa Giansanti, Manuela Petaccia, Neva Bešker

J Phys Chem B· February 2016

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Molecular mechanisms of activation in CDK2.
Neva Bešker, Andrea Amadei, Marco D'Abramo

J Biomol Struct Dyn· December 2014

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Modeling conformational transitions in kinases by molecular dynamics simulations: achievements, difficulties, and open challenges.
Marco D'Abramo, Neva Besker, Giovanni Chillemi, Alessandro Grottesi

Front Genet· June 2014

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Using metadynamics and path collective variables to study ligand binding and induced conformational transitions.
Neva Bešker, Francesco L Gervasio

Methods Mol Biol· April 2012

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Structural insight into peroxisome proliferator-activated receptor gamma binding of two ureidofibrate-like enantiomers by molecular dynamics, cofactor interaction analysis, and site-directed mutagenesis.
Giorgio Pochetti, Nico Mitro, Antonio Lavecchia, Federica Gilardi, Neva Besker

J Med Chem· June 2010

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Synthesis, biological evaluation, and docking studies of N-substituted acetamidines as selective inhibitors of inducible nitric oxide synthase.
Cristina Maccallini, Antonia Patruno, Neva Besker, Jamila Isabella Alì, Alessandra Ammazzalorso

J Med Chem· March 2009

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Aquation of the ruthenium-based anticancer drug NAMI-A: a density functional study.
Neva Besker, Cecilia Coletti, Alessandro Marrone, Nazzareno Re

J Phys Chem B· April 2008

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Binding of antitumor ruthenium complexes to DNA and proteins: a theoretical approach.
Neva Besker, Cecilia Coletti, Alessandro Marrone, Nazzareno Re

J Phys Chem B· August 2007

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Stereoselectivity by enantiomeric inhibitors of matrix metalloproteinase-8: new insights from molecular dynamics simulations.
Massimiliano Aschi, Neva Besker, Nazzareno Re, Giorgio Pochetti, Cecilia Coletti

J Med Chem· January 2007

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Theoretical models of possible compact nucleosome structures.
Neva Besker, Claudio Anselmi, Pasquale De Santis

Biophys Chem· April 2005

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Systematic search for compact structures of telomeric nucleosomes.
Neva Besker, Claudio Anselmi, Raffaella Paparcone, Anita Scipioni, Maria Savino

FEBS Lett· November 2003

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