Skip to Main Content

Author Details

Elisabetta Moroni
Istituto di Scienze e Tecnologie Chimiche "Giulio Natta" - SCITEC CNR
2005
52
19
Nevan J Krogan (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36574607Integrating Protein Interaction Surface Prediction with a Fragment-Based Drug Design: Automatic Design of New Leads with Fragments on Energy Surfaces.J Chem Inf Model2023
37343552How aberrant N-glycosylation can alter protein functionality and ligand binding: An atomistic view.Structure2023
36959875Editorial: Computational drug discovery for targeting of protein-protein interfaces-Volume II.Front Chem2023
36926878Conformational Behavior of SARS-Cov-2 Spike Protein Variants: Evolutionary Jumps in Sequence Reverberate in Structural Dynamic Differences.J Chem Theory Comput2023
35182466Transcription factor protein interactomes reveal genetic determinants in heart disease.Cell2022
35617136The Mitogenome Relationships and Phylogeography of Barn Swallows (Hirundo rustica).Mol Biol Evol2022
35666124Studying the Dynamics of a Complex G-Quadruplex System: Insights into the Comparison of MD and NMR Data.J Chem Theory Comput2022
36531315Evaluation of docking procedures reliability in affitins-partners interactions.Front Chem2022
36092930The worldwide spread of <i>Aedes albopictus</i>: New insights from mitogenomes.Front Genet2022
36090047A Fe<sup>2+</sup>-dependent self-inhibited state influences the druggability of human collagen lysyl hydroxylase (LH/PLOD) enzymes.Front Mol Biosci2022
35101454Protein Allostery and Ligand Design: Computational Design Meets Experiments to Discover Novel Chemical Probes.J Mol Biol2022
32438819Honokiol Bis-Dichloroacetate Is a Selective Allosteric Inhibitor of the Mitochondrial Chaperone TRAP1.Antioxid Redox Signal2021
33843228Machine Learning Prediction of Allosteric Drug Activity from Molecular Dynamics.J Phys Chem Lett2021
34468141SARS-CoV-2 Spike Protein Mutations and Escape from Antibodies: A Computational Model of Epitope Loss in Variants of Concern.J Chem Inf Model2021
33992469Targeting the mitochondrial chaperone TRAP1: strategies and therapeutic perspectives.Trends Pharmacol Sci2021
33934112HIF1α-dependent induction of the mitochondrial chaperone TRAP1 regulates bioenergetic adaptations to hypoxia.Cell Death Dis2021
33369425Machine Learning of Allosteric Effects: The Analysis of Ligand-Induced Dynamics to Predict Functional Effects in TRAP1.J Phys Chem B2021
33275968Visualizing the Dynamics of a Protein Folding Machinery: The Mechanism of Asymmetric ATP Processing in Hsp90 and its Implications for Client Remodelling.J Mol Biol2021
32320652Rational Design of Allosteric and Selective Inhibitors of the Molecular Chaperone TRAP1.Cell Rep2020
32885971The Answer Lies in the Energy: How Simple Atomistic Molecular Dynamics Simulations May Hold the Key to Epitope Prediction on the Fully Glycosylated SARS-CoV-2 Spike Protein.J Phys Chem Lett2020
31408337Impact of Mutations on NPAC Structural Dynamics: Mechanistic Insights from MD Simulations.J Chem Inf Model2019
30048133Allosteric Modulators of HSP90 and HSP70: Dynamics Meets Function through Structure-Based Drug Design.J Med Chem2019
30168023The calcium-binding type III repeats domain of thrombospondin-2 binds to fibroblast growth factor 2 (FGF2).Angiogenesis2019
29320629The Structural Asymmetry of Mitochondrial Hsp90 (Trap1) Determines Fine Tuning of Functional Dynamics.J Chem Theory Comput2018
30136746Expedient Access to 2-Benzazepines by Palladium-Catalyzed C-H Activation: Identification of a Unique Hsp90 Inhibitor Scaffold.Chemistry2018
28207175Design of Allosteric Stimulators of the Hsp90 ATPase as New Anticancer Leads.Chemistry2017
28122037Novel PARP-1 Inhibitor Scaffolds Disclosed by a Dynamic Structure-Based Pharmacophore Approach.PLoS One2017
27000667Integrating computational and chemical biology tools in the discovery of antiangiogenic small molecule ligands of FGF2 derived from endogenous inhibitors.Sci Rep2016
26678679Assessment of Mutational Effects on Peptide Stability through Confinement Simulations.J Phys Chem Lett2016
27663270Allosteric Regulation Points Control the Conformational Dynamics of the Molecular Chaperone Hsp90.J Mol Biol2016
27161705PO-15 - Antiangiogenic small molecule ligands of FGF2 derived from the endogenous inhibitor thrombospondin-1.Thromb Res2016
27032695Molecular Dynamics Simulations Reveal the Mechanisms of Allosteric Activation of Hsp90 by Designed Ligands.Sci Rep2016
25462258Design, synthesis and biological evaluation of biphenylamide derivatives as Hsp90 C-terminal inhibitors.Eur J Med Chem2015
26267536Long-Pentraxin 3 Derivative as a Small-Molecule FGF Trap for Cancer Therapy.Cancer Cell2015
26286886Activation of Hsp90 Enzymatic Activity and Conformational Dynamics through Rationally Designed Allosteric Ligands.Chemistry2015
26156197The Dynamics of Drug Discovery.Curr Top Med Chem2015
25986688The Dynamics of Drug Discovery.Curr Top Med Chem2015
24256025Antitumor activity of a novel homodimeric SMAC mimetic in ovarian carcinoma.Mol Pharm2014
25299071Dimerization capacities of FGF2 purified with or without heparin-affinity chromatography.PLoS One2014
24397468Exploiting conformational dynamics in drug discovery: design of C-terminal inhibitors of Hsp90 with improved activities.J Chem Inf Model2014
24900777Identification of a new scaffold for hsp90 C-terminal inhibition.ACS Med Chem Lett2013
22407164A NMR and computational study of Smac mimics targeting both the BIR2 and BIR3 domains in XIAP protein.Org Biomol Chem2012
24280699Molecular dynamics simulations of hsp90 with an eye to inhibitor design.Pharmaceuticals (Basel)2012
236069273D-QSAR Assisted Design, Synthesis and Evaluation of Novobiocin Analogues.ACS Med Chem Lett2012
23062821Dimeric Smac mimetics/IAP inhibitors as in vivo-active pro-apoptotic agents. Part II: Structural and biological characterization.Bioorg Med Chem2012
21735039Second generation of fucose-based DC-SIGN ligands: affinity improvement and specificity versus Langerin.Org Biomol Chem2011
21106075Investigating dynamic and energetic determinants of protein nucleic acid recognition: analysis of the zinc finger zif268-DNA complexes.BMC Struct Biol2010
19273083Structure and sequence determinants of aggregation investigated with molecular dynamics.Front Biosci (Landmark Ed)2009
19620011Rational design, synthesis and characterization of potent, non-peptidic Smac mimics/XIAP inhibitors as proapoptotic agents for cancer therapy.Bioorg Med Chem2009
18703072A molecular dynamics study of the interaction of D-peptide amyloid inhibitors with their target sequence reveals a potential inhibitory pharmacophore conformation.J Mol Biol2008
  • 1 - 50 of 52

Recommended Authors

Chiara Pallara
Career Start Year 2013
Number of shared co-authors 0
Petr Popov
Skolkovo Institute of Science and Technology
Career Start Year 2013
Number of shared co-authors 0
Paola Bisignano
Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai
Career Start Year 2010
Number of shared co-authors 1
Jacob D Durrant
University of Pittsburgh
Career Start Year 2006
Number of shared co-authors 0
Jaume Bonet
Institute of Bioengineering, Ecole Polytechnique Federale de Lausanne
Career Start Year 2006
Number of shared co-authors 0
Rommie E Amaro
University of California
Career Start Year 2001
Number of shared co-authors 0
Matteo Dal Peraro
Institute of Bioengineering
Career Start Year 2001
Number of shared co-authors 0
Hao Fan
College of Biotechnology and Bioengineering, Zhejiang University of Technology
Career Start Year 2001
Number of shared co-authors 0
Manuel Rueda
The Barcelona Institute of Science and Technology
Career Start Year 2001
Number of shared co-authors 0
David E Shaw
Columbia University
Career Start Year 2000
Number of shared co-authors 0
Matthew P Jacobson
Department of Pharmaceutical Chemistry, University of California san francisco
Career Start Year 1999
Number of shared co-authors 2
Heather A Carlson
University of Michigan ann arbor
Career Start Year 1999
Number of shared co-authors 0
Nikolay V Dokholyan
Pennsylvania State University College of Medicine
Career Start Year 1998
Number of shared co-authors 1
Juan Fern??ndez-Recio
Instituto de Ciencias de la Vid y del Vino (ICVV-CSIC)
Career Start Year 1997
Number of shared co-authors 0
Dmitri Beglov
Boston University
Career Start Year 1997
Number of shared co-authors 0
Marc F Lensink
University Lille, CNRS
Career Start Year 1996
Number of shared co-authors 0
Ivet Bahar
Laufer Center for Physical and Quantitative Biology, Stony Brook University
Career Start Year 1994
Number of shared co-authors 0
Alexandre M J J Bonvin
Bijvoet Center for Biomolecular Research, Utrecht University
Career Start Year 1991
Number of shared co-authors 0
Carlos J Camacho
University of Pittsburgh
Career Start Year 1990
Number of shared co-authors 0
Paul A Bates
The Francis Crick Institute
Career Start Year 1989
Number of shared co-authors 0
Rebecca C Wade
Center for Molecular Biology (ZMBH), Heidelberg University
Career Start Year 1989
Number of shared co-authors 0
Gerhard Klebe
Institut fur Pharmazeutische Chemie, Philipps-Universitat Marburg
Career Start Year 1988
Number of shared co-authors 0
Herman W T van Vlijmen
Leiden Academic Centre for Drug Research (LACDR), Leiden University
Career Start Year 1988
Number of shared co-authors 0
Piotr Cieplak
Sanford-Burnham-Prebys Medical Discovery Institute
Career Start Year 1987
Number of shared co-authors 0
Michael K Gilson
University of California
Career Start Year 1985
Number of shared co-authors 0
Sandor Vajda
Boston University
Career Start Year 1982
Number of shared co-authors 0
Ruben Abagyan
Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California
Career Start Year 1981
Number of shared co-authors 0
Ruth Nussinov
Sackler School of Medicine, Tel Aviv University
Career Start Year 1980
Number of shared co-authors 0
Charles L Brooks
University of Michigan ann arbor
Career Start Year 1974
Number of shared co-authors 0
Jens Meiler
Vanderbilt University
Career Start Year 1954
Number of shared co-authors 0

Collaborators

Giorgio Colombo
Fondazione IRCCS Ca' Granda Ospedale Maggiore Policlinico
Co-authored papers 41
David A Agard
University of California, USA Quantitative Biosciences Institute (QBI) san francisco
Co-authored papers 4
Michele Caselle
University of Turin and INFN
Co-authored papers 2
Martino Bolognesi
University of Milano
Co-authored papers 2
Desmond Richmond-Buccola
Co-authored papers 1
Deepak Srivastava
Gladstone Institutes San Francisco
Co-authored papers 1
Maciej Baginski
Co-authored papers 1
Nevan J Krogan (CM4AI)
University of California San Francisco
Co-authored papers 1
Arun Padmanabhan
Gladstone Institutes San Francisco
Co-authored papers 1
Christine E Seidman
Brigham and Women's Hospital (Y.K.
Co-authored papers 1
Maureen Pittman
Co-authored papers 1
Mauro W Costa
Australian Regenerative Medicine Institute, Monash University
Co-authored papers 1
Brian L Black
Cardiovascular Research Institute, University of California san francisco
Co-authored papers 1
Yu Huang
Gladstone Institutes San Francisco
Co-authored papers 1
Clara Youngna Lee
Co-authored papers 1
Ruth H??ttenhain
Quantitative Biosciences Institute (QBI), University of California san francisco
Co-authored papers 1
Bruce R Conklin
Gladstone Institutes
Co-authored papers 1
Sarah U Morton
Boston Children's Hospital
Co-authored papers 1
B??rbara Gonz??lez-Ter??n
Gladstone Institutes, USA Roddenberry Center for Stem Cell Biology at Gladstone
Co-authored papers 1
Casey A Gifford
Gladstone Institutes, USA Roddenberry Center for Stem Cell Biology at Gladstone
Co-authored papers 1
Benoit G Bruneau
Gladstone Institutes of Cardiovascular Disease, Gladstone Institutes
Co-authored papers 1
Jonathan G Seidman
Harvard Medical School
Co-authored papers 1
Bruce D Gelb
Icahn School of Medicine at Mount Sinai
Co-authored papers 1
Krishna Choudhary
Gladstone Institutes of Cardiovascular Disease, Gladstone Institutes
Co-authored papers 1
Franco Felix
Co-authored papers 1
Katherine S Pollard
Gladstone Institutes
Co-authored papers 1
Bonnie E J Maven
Co-authored papers 1
Kaitlen Samse-Knapp
Co-authored papers 1
Michael J McGregor
J. David Gladstone Institutes
Co-authored papers 1
Silvio C E Tosatto
University of Padova
Co-authored papers 1
Release 1.2