Maurizio Recanatini

发表

Exploring Conformational Dynamics of the Extracellular Venus flytrap Domain of the GABAB Receptor: A Path-Metadynamics Study

Linn Mari Evenseth, Riccardo Ocello, Mari Gabrielsen, 2020, J. Chem. Inf. Model..

The role of fragment-based and computational methods in polypharmacology.

Maurizio Recanatini, Angelo D. Favia, Giovanni Bottegoni, 2012, Drug discovery today.

Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies

Andrea Cavalli, Maurizio Recanatini, Matteo Masetti, 2008, J. Comput. Chem..

Mechanical Features of Plasmodium falciparum Acyl Carrier Protein in the Delivery of Substrates

Andrea Cavalli, Maurizio Recanatini, Francesco Colizzi, 2008, J. Chem. Inf. Model..

Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations

Matteo Masetti, Maurizio Recanatini, Andrea Cavalli, 2018, J. Chem. Inf. Model..

Binding Residence Time through Scaled Molecular Dynamics: A Prospective Application to hDAAO Inhibitors

Matteo Masetti, Maurizio Recanatini, Loredano Pollegioni, 2018, J. Chem. Inf. Model..

Alpha7 nicotinic acetylcholine receptor agonists: Prediction of their binding affinity through a molecular mechanics Poisson–Boltzmann surface area approach

Andrea Cavalli, Maurizio Recanatini, Giovanni Grazioso, 2008, J. Comput. Chem..

An Automated Docking Protocol for hERG Channel Blockers

Andrea Cavalli, Maurizio Recanatini, Matteo Masetti, 2013, J. Chem. Inf. Model..

Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics

Matteo Masetti, Maurizio Recanatini, Andrea Cavalli, 2018, J. Chem. Inf. Model..

Comparative molecular field analysis of non-steroidal aromatase inhibitors related to fadrozole

Maurizio Recanatini, M. Recanatini, 1996, J. Comput. Aided Mol. Des..

A Comparative Study on the Application of Hierarchical-Agglomerative Clustering Approaches to Organize Outputs of Reiterated Docking Runs

Andrea Cavalli, Maurizio Recanatini, Giovanni Bottegoni, 2006, J. Chem. Inf. Model..

An Integrated Markov State Model and Path Metadynamics Approach to Characterize Drug Binding Processes.

Rommie E. Amaro, Andrea Cavalli, Rommie E Amaro, 2019, Journal of chemical theory and computation.

Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data

Andrea Cavalli, Maurizio Recanatini, Matteo Masetti, 2017, J. Comput. Chem..

AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets

Andrea Cavalli, Maurizio Recanatini, Walter Rocchia, 2006, ISMB.

Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17β-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps

Maurizio Recanatini, Rolf W. Hartmann, Matthias Negri, 2011, J. Comput. Aided Mol. Des..

Collecting and Assessing Human Lactate Dehydrogenase-A Conformations for Structure-Based Virtual Screening

Andrea Cavalli, Maurizio Recanatini, Matteo Masetti, 2013, J. Chem. Inf. Model..

In silico modelling--pharmacophores and hERG channel models.

Maurizio Recanatini, Andrea Cavalli, Matteo Masetti, 2005, Novartis Foundation symposium.

In silico antitarget screening.

Maurizio Recanatini, Giovanni Bottegoni, Andrea Cavalli, 2004, Drug discovery today. Technologies.

Targeting the JAK/STAT Pathway: A Combined Ligand- and Target-Based Approach

Riccardo Ocello, Matteo Masetti, Maurizio Recanatini, 2021, J. Chem. Inf. Model..

Multi-target-directed drug design strategy: from a dual binding site acetylcholinesterase inhibitor to a trifunctional compound against Alzheimer's disease.

Maurizio Recanatini, Maria Laura Bolognesi, Andrea Cavalli, 2007, Journal of medicinal chemistry.

The role of the peripheral anionic site and cation-pi interactions in the ligand penetration of the human AChE gorge.

Francesco Luigi Gervasio, Michele Parrinello, Maurizio Recanatini, 2005, Journal of the American Chemical Society.

A small molecule targeting the multifactorial nature of Alzheimer's disease.

Maurizio Recanatini, Maria Laura Bolognesi, Andrea Cavalli, 2007, Angewandte Chemie.

Imidazolylmethylbenzophenones as highly potent aromatase inhibitors.

Silvia Gobbi, Maurizio Recanatini, Andrea Cavalli, 2007, Journal of medicinal chemistry.

Multi-target-directed ligands to combat neurodegenerative diseases.

Maurizio Recanatini, Maria Laura Bolognesi, Andrea Cavalli, 2008, Journal of medicinal chemistry.

Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach.

Silvia Gobbi, Maurizio Recanatini, Andrea Cavalli, 2005, Journal of medicinal chemistry.

THE SELF-ASSEMBLY OF A LIPOPHILIC DEOXYGUANOSINE DERIVATIVE AND THE FORMATION OF A LIQUID-CRYSTALLINE PHASE IN HYDROCARBON SOLVENTS

Maurizio Recanatini, Paolo Mariani, Stefano Masiero, 1998 .

Targeting Alzheimer's disease: Novel indanone hybrids bearing a pharmacophoric fragment of AP2238.

Silvia Gobbi, Maurizio Recanatini, Andrea Cavalli, 2010, Bioorganic & medicinal chemistry.

Safety of Non-Antiarrhythmic Drugs that Prolong the QT Interval or Induce Torsade de Pointes

Maurizio Recanatini, Fabrizio Ponti, Elisabetta Poluzzi, 2002, Drug safety.

How dynamic docking simulations can help to tackle tough drug targets.

Maurizio Recanatini, 2018, Future medicinal chemistry.

QSAR and Pharmacophores for Drugs Involved in hERG Blockage

Maurizio Recanatini, Andrea Cavalli, A. Cavalli, 2008 .

Exploring complex protein-ligand recognition mechanisms with coarse metadynamics.

Francesco Luigi Gervasio, Matteo Masetti, Maurizio Recanatini, 2009, The journal of physical chemistry. B.

Structure-based design of small-molecule protein – protein interaction modulators : the story

Maurizio Recanatini, Fabiana Caporuscio, Federico Falchi, 2014 .

Maurizio Recanatini, Emanuel Raschi, Luisa Ceccarini, 2009, Expert opinion on drug metabolism & toxicology.

Three‐dimensional model of the cyclin‐dependent kinase 1 (CDK1): Ab initio active site parameters for molecular dynamics studies of CDKS

Gerd Folkers, Maurizio Recanatini, Andrea Cavalli, 2001, Proteins.

A computational study of the binding of propidium to the peripheral anionic site of human acetylcholinesterase.

Maurizio Recanatini, Giovanni Bottegoni, Andrea Cavalli, 2004, Journal of medicinal chemistry.

Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation.

Silvia Gobbi, Maurizio Recanatini, Christina Zimmer, 2010, Journal of medicinal chemistry.

Role of phosphorylated Thr160 for the activation of the CDK2/Cyclin A complex

Maurizio Recanatini, Paolo Carloni, Giovanni Bottegoni, 2005, Proteins.

Synthesis, biological evaluation and molecular modelling studies of methyleneimidazole substituted biaryls as inhibitors of human 17alpha-hydroxylase-17,20-lyase (CYP17). Part I: Heterocyclic modifications of the core structure.

Maurizio Recanatini, Andrea Cavalli, Thomas Lauterbach, 2008, Bioorganic & medicinal chemistry.

Modeling hERG and its Interactions with Drugs: Recent Advances in Light of Current Potassium Channel Simulations

Matteo Masetti, Maurizio Recanatini, Andrea Cavalli, 2008, ChemMedChem.

Three‐dimensional model of the human aromatase enzyme and density functional parameterization of the iron‐containing protoporphyrin IX for a molecular dynamics study of heme‐cysteinato cytochromes

Angelo Carotti, Matteo Masetti, Maurizio Recanatini, 2006, Proteins.

The role of Li+, Na+, and K+ in the ligand binding inside the human acetylcholinesterase gorge

Francesco Luigi Gervasio, Michele Parrinello, Maurizio Recanatini, 2008, Proteins.

Comparative molecular field analysis (CoMFA) of a series of selective adenosine receptor A2A antagonists

Maurizio Recanatini, Giampiero Spalluto, Pier Andrea Borea, 1999 .

Maurizio Recanatini, Paolo Carloni, Andrea Cavalli, 2006, Chemical reviews.

QT prolongation through hERG K+ channel blockade: Current knowledge and strategies for the early prediction during drug development

Fabrizio De Ponti, Matteo Masetti, Maurizio Recanatini, 2005, Medicinal research reviews.

Novel class of quinone-bearing polyamines as multi-target-directed ligands to combat Alzheimer's disease.

Maurizio Recanatini, Maria Laura Bolognesi, Andrea Cavalli, 2007, Journal of medicinal chemistry.

Protein Flexibility in Drug Discovery: From Theory to Computation

Matteo Masetti, Maurizio Recanatini, Rosa Buonfiglio, 2015, ChemMedChem.