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Journal of the American Chemical Society
|
March 15, 2017
Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations
Rodrigo Casasnovas, Vittorio Limongelli, Pratyush Tiwary, et al.
Journal of the American Chemical Society
|
January 1, 2015
Funnel-metadynamics and solution NMR to estimate protein-ligand affinities
Laura Troussicot, Florence Guillière, Vittorio Limongelli, et al.
Journal of Chemical Theory and Computation
|
September 21, 2019
Ligand Binding, Unbinding, and Allosteric Effects: Deciphering Small-Molecule Modulation of HSP90
Ilda D'Annessa, Stefano Raniolo, Vittorio Limongelli, et al.
Journal of Medicinal Food
|
July 15, 2010
Stop Fitan: antispasmodic effect of natural extract of chestnut wood in guinea pig ileum and proximal colon smooth muscle
Roberta Budriesi, Pierfranco Ioan, Matteo Micucci, et al.
Nucleic Acids Research
|
April 23, 2014
Mechanistic insight into ligand binding to G-quadruplex DNA
Francesco Saverio Di Leva, Ettore Novellino, Andrea Cavalli, et al.
Chemmedchem
|
April 5, 2007
Ensemble-docking approach on BACE-1: pharmacophore perception and guidelines for drug design
Vittorio Limongelli, Luciana Marinelli, Sandro Cosconati, et al.
Frontiers in Molecular Biosciences
|
April 15, 2021
Perspectives on High-Throughput Ligand/Protein Docking With Martini MD Simulations
Paulo C T Souza, Vittorio Limongelli, Sangwook Wu, et al.
Scientific Reports
|
March 18, 2015
The glycan role in the glycopeptide immunogenicity revealed by atomistic simulations and spectroscopic experiments on the multiple sclerosis biomarker CSF114(Glc)
Agostino Bruno, Mario Scrima, Ettore Novellino, et al.
Pharmacological Research
|
March 14, 2018
Disruption of TFGβ-SMAD3 pathway by the nuclear receptor SHP mediates the antifibrotic activities of BAR704, a novel highly selective FXR ligand
Adriana Carino, Michele Biagioli, Silvia Marchianò, et al.
Journal of Computational Chemistry
|
December 5, 2025
QM/MM Free Energy Calculations of IRE1 Reveal a Unique Protonation State of the Catalytic Lys599
Antonio Carlesso, Paolo Conflitti, Sayyed Jalil Mahdizadeh, et al.
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of 9
Search research articles
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Showing results (21-30 of 82) with videos related to
Sort By:
Page
of 9
Journal of the American Chemical Society
|
March 15, 2017
Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations
Rodrigo Casasnovas, Vittorio Limongelli, Pratyush Tiwary, et al.
Journal of the American Chemical Society
|
January 1, 2015
Funnel-metadynamics and solution NMR to estimate protein-ligand affinities
Laura Troussicot, Florence Guillière, Vittorio Limongelli, et al.
Journal of Chemical Theory and Computation
|
September 21, 2019
Ligand Binding, Unbinding, and Allosteric Effects: Deciphering Small-Molecule Modulation of HSP90
Ilda D'Annessa, Stefano Raniolo, Vittorio Limongelli, et al.
Journal of Medicinal Food
|
July 15, 2010
Stop Fitan: antispasmodic effect of natural extract of chestnut wood in guinea pig ileum and proximal colon smooth muscle
Roberta Budriesi, Pierfranco Ioan, Matteo Micucci, et al.
Nucleic Acids Research
|
April 23, 2014
Mechanistic insight into ligand binding to G-quadruplex DNA
Francesco Saverio Di Leva, Ettore Novellino, Andrea Cavalli, et al.
Chemmedchem
|
April 5, 2007
Ensemble-docking approach on BACE-1: pharmacophore perception and guidelines for drug design
Vittorio Limongelli, Luciana Marinelli, Sandro Cosconati, et al.
Frontiers in Molecular Biosciences
|
April 15, 2021
Perspectives on High-Throughput Ligand/Protein Docking With Martini MD Simulations
Paulo C T Souza, Vittorio Limongelli, Sangwook Wu, et al.
Scientific Reports
|
March 18, 2015
The glycan role in the glycopeptide immunogenicity revealed by atomistic simulations and spectroscopic experiments on the multiple sclerosis biomarker CSF114(Glc)
Agostino Bruno, Mario Scrima, Ettore Novellino, et al.
Pharmacological Research
|
March 14, 2018
Disruption of TFGβ-SMAD3 pathway by the nuclear receptor SHP mediates the antifibrotic activities of BAR704, a novel highly selective FXR ligand
Adriana Carino, Michele Biagioli, Silvia Marchianò, et al.
Journal of Computational Chemistry
|
December 5, 2025
QM/MM Free Energy Calculations of IRE1 Reveal a Unique Protonation State of the Catalytic Lys599
Antonio Carlesso, Paolo Conflitti, Sayyed Jalil Mahdizadeh, et al.
Page
of 9