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Scientific Reports
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April 2, 2016
Molecular Dynamics Simulations Reveal the Mechanisms of Allosteric Activation of Hsp90 by Designed Ligands
Gerolamo Vettoretti, Elisabetta Moroni, Sara Sattin, et al.
Chemical Biology & Drug Design
|
October 8, 2010
Combined in silico and experimental approach for drug design: the binding mode of peptidic and non-peptidic inhibitors to hsp90 N-terminal domain
Simona Tomaselli, Massimiliano Meli, Janet Plescia, et al.
Journal of Medicinal Chemistry
|
December 17, 2008
Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors
Marco A C Neves, Teresa C P Dinis, Giorgio Colombo, et al.
Journal of Chemical Theory and Computation
|
September 11, 2025
MOLECULE: Molecular-dynamics and Optimized deep Learning for Entropy-regularized Classification and Uncertainty-aware Ligand Evaluation
Ivan Cucchi, Elena Frasnetti, Francesco Frigerio, et al.
Chemmedchem
|
October 3, 2007
Combining computational and biochemical studies for a rationale on the anti-aromatase activity of natural polyphenols
Marco A C Neves, Teresa C P Dinis, Giorgio Colombo, et al.
European Journal of Medicinal Chemistry
|
June 9, 2009
An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors
Marco A C Neves, Teresa C P Dinis, Giorgio Colombo, et al.
International Journal of Biological Macromolecules
|
July 2, 2023
NLRP3 monomer functional dynamics: From the effects of allosteric binding to implications for drug design
Emanuele Casali, Stefano A Serapian, Eleonora Gianquinto, et al.
Proteins
|
August 25, 2004
Beta-hairpin conformation of fibrillogenic peptides: structure and alpha-beta transition mechanism revealed by molecular dynamics simulations
Isabella Daidone, Fabio Simona, Danilo Roccatano, et al.
Journal of Molecular Biology
|
August 16, 2008
A molecular dynamics study of the interaction of D-peptide amyloid inhibitors with their target sequence reveals a potential inhibitory pharmacophore conformation
Alexandra Esteras-Chopo, Giulia Morra, Elisabetta Moroni, et al.
Journal of Medicinal Chemistry
|
July 27, 2018
Allosteric Modulators of HSP90 and HSP70: Dynamics Meets Function through Structure-Based Drug Design
Mariarosaria Ferraro, Ilda D'Annessa, Elisabetta Moroni, et al.
Page
of 28
Search research articles
Search
Showing results (151-160 of 280) with videos related to
Sort By:
Page
of 28
Scientific Reports
|
April 2, 2016
Molecular Dynamics Simulations Reveal the Mechanisms of Allosteric Activation of Hsp90 by Designed Ligands
Gerolamo Vettoretti, Elisabetta Moroni, Sara Sattin, et al.
Chemical Biology & Drug Design
|
October 8, 2010
Combined in silico and experimental approach for drug design: the binding mode of peptidic and non-peptidic inhibitors to hsp90 N-terminal domain
Simona Tomaselli, Massimiliano Meli, Janet Plescia, et al.
Journal of Medicinal Chemistry
|
December 17, 2008
Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors
Marco A C Neves, Teresa C P Dinis, Giorgio Colombo, et al.
Journal of Chemical Theory and Computation
|
September 11, 2025
MOLECULE: Molecular-dynamics and Optimized deep Learning for Entropy-regularized Classification and Uncertainty-aware Ligand Evaluation
Ivan Cucchi, Elena Frasnetti, Francesco Frigerio, et al.
Chemmedchem
|
October 3, 2007
Combining computational and biochemical studies for a rationale on the anti-aromatase activity of natural polyphenols
Marco A C Neves, Teresa C P Dinis, Giorgio Colombo, et al.
European Journal of Medicinal Chemistry
|
June 9, 2009
An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors
Marco A C Neves, Teresa C P Dinis, Giorgio Colombo, et al.
International Journal of Biological Macromolecules
|
July 2, 2023
NLRP3 monomer functional dynamics: From the effects of allosteric binding to implications for drug design
Emanuele Casali, Stefano A Serapian, Eleonora Gianquinto, et al.
Proteins
|
August 25, 2004
Beta-hairpin conformation of fibrillogenic peptides: structure and alpha-beta transition mechanism revealed by molecular dynamics simulations
Isabella Daidone, Fabio Simona, Danilo Roccatano, et al.
Journal of Molecular Biology
|
August 16, 2008
A molecular dynamics study of the interaction of D-peptide amyloid inhibitors with their target sequence reveals a potential inhibitory pharmacophore conformation
Alexandra Esteras-Chopo, Giulia Morra, Elisabetta Moroni, et al.
Journal of Medicinal Chemistry
|
July 27, 2018
Allosteric Modulators of HSP90 and HSP70: Dynamics Meets Function through Structure-Based Drug Design
Mariarosaria Ferraro, Ilda D'Annessa, Elisabetta Moroni, et al.
Page
of 28