M. Recanatini

M. Recanatini, G. Di Stefano, M. Roberti, 2015, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Predicting reactivity and stereoselectivity in the Nazarov reaction: a combined computational and experimental study.

A. Cavalli, M. Recanatini, C. Prandi, 2008, Chemistry.

Targeting the Protein Tunnels of the Urease Accessory Complex: A Theoretical Investigation

M. Recanatini, S. Ciurli, Matteo Masetti, 2020, Molecules.

A ligand-based virtual screening approach to identify small molecules as HERG channel activators.

M. Recanatini, G. Tseng, Yuhong Wang, 2015, Combinatorial chemistry & high throughput screening.

Density functional studies on the Nazarov reaction involving cyclic systems.

A. Cavalli, M. Recanatini, Matteo Masetti, 2006, Chemistry.

Heterocyclic inhibitors of AChE acylation and peripheral sites.

A. Cavalli, V. Andrisano, M. Bartolini, 2005, Farmaco.

Phytoestrogens in Postmenopause: The State of the Art from a Chemical, Pharmacological and Regulatory Perspective

M. Recanatini, A. Rampa, F. Ponti, 2013, Current medicinal chemistry.

Novel 1,3-dipropyl-8-(3-benzimidazol-2-yl-methoxy-1-methylpyrazol-5-yl)xanthines as potent and selective A₂B adenosine receptor antagonists.

A. Cavalli, M. Recanatini, K. Varani, 2012, Journal of medicinal chemistry.

Computational investigation of the Plasmodium falciparum fatty acid biosynthetic pathway toward the discovery of novel antimalarials

M. Recanatini, Francesco Colizzi, 2009 .

Novel antiproliferative chimeric compounds with marked histone deacetylase inhibitory activity.

M. Recanatini, L. Altucci, A. Nebbioso, 2014, ACS medicinal chemistry letters.

Atomic-Level Characterization of the Chain-Flipping Mechanism in Fatty-Acids Biosynthesis.

A. Cavalli, M. Recanatini, Francesco Colizzi, 2016, The journal of physical chemistry letters.

Density functional study of the enzymatic reaction catalyzed by a cyclin-dependent kinase.

A. Cavalli, M. Recanatini, M. De Vivo, 2003, Chemical communications.

Probing the Binding Sites and Mechanisms of Action of Two Human Ether-a-go-go-Related Gene Channel Activators, 1,3-bis-(2-Hydroxy-5-trifluoromethyl-phenyl)-urea (NS1643) and 2-[2-(3,4-Dichloro-phenyl)-2,3-dihydro-1H-isoindol-5-ylamino]-nicotinic acid (PD307243)

M. Recanatini, G. Tseng, Xulin Xu, 2008, Molecular Pharmacology.

An Unsupervised Computational Pipeline Identifies Potential Repurposable Drugs to Treat Huntington's Disease and Multiple Sclerosis

M. Recanatini, Luca Menestrina, 2022, Artificial Intelligence in the Life Sciences.

Multi-target dopamine D3 receptor modulators: Actionable knowledge for drug design from molecular dynamics and machine learning.

A. Cavalli, G. Bottegoni, M. Recanatini, 2019, European journal of medicinal chemistry.

Protein Tunnels: The Case of Urease Accessory Proteins.

A. Cavalli, M. Recanatini, S. Ciurli, 2017, Journal of chemical theory and computation.

Synthesis and antagonistic activity at muscarinic receptor subtypes of some derivatives of diphenidol.

A. Cavalli, M. Recanatini, G. Marucci, 2003, Farmaco.

Quantitative structure-activity relationships and molecular graphics in ligand receptor interactions: amidine inhibition of trypsin.

R. Langridge, C. Hansch, M. Recanatini, 1986, Molecular pharmacology.

PROBING THE BINDING SITES AND MECHANISMS OF ACTION OF TWO hERG CHANNEL ACTIVATORS, NS1643 AND PD307243

M. Recanatini, G. Tseng, Xulin Xu, 2008 .

Identification of biphenyl-based hybrid molecules able to decrease the intracellular level of Bcl-2 protein in Bcl-2 overexpressing leukemia cells.

M. Recanatini, M. Roberti, Daniela Pizzirani, 2009, Journal of medicinal chemistry.

Multiscale Simulations of a Two-Pore Potassium Channel.

A. Cavalli, C. Fiegna, M. Recanatini, 2016, Journal of chemical theory and computation.

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..

Synthesis of natural urolithin M6, a galloflavin mimetic, as a potential inhibitor of lactate dehydrogenase A.

M. Recanatini, G. Di Stefano, M. Roberti, 2016, Organic & biomolecular chemistry.

Design, synthesis and binding at cloned muscarinic receptors of N-[5-(1'-substituted-acetoxymethyl)-3-oxadiazolyl] and N-[4-(1'-substituted-acetoxymethyl)-2-dioxolanyl] dialkyl amines.

M. Recanatini, I. Lampronti, S. Manfredini, 2000, Bioorganic & medicinal chemistry.

Design, synthesis and biological activity of some 4-DAMP- related compounds

M. Recanatini, V. Tumiatti, A. Minarini, 1995 .

Looking for selectivity among cytochrome P450s inhibitors.

A. Cavalli, M. Recanatini, 2002, Journal of medicinal chemistry.

Design, synthesis, and biological and crystallographic evaluation of novel inhibitors of Plasmodium falciparum enoyl-ACP-reductase (PfFabI).

A. Cavalli, F. Belluti, A. Bisi, 2013, Journal of medicinal chemistry.

Effects of new ubiquinone-imidazo[2,1-b]thiazoles on mitochondrial complex I (NADH-ubiquinone reductase) and on mitochondrial permeability transition pore.

M. Recanatini, G. Lenaz, C. Bergamini, 2004, Bioorganic & medicinal chemistry.

A Molecular Dynamics Study of Reovirus Attachment Protein s 1 Reveals Conformational Changes in s 1 Structure

A. Cavalli, M. Recanatini, G. Folkers, 2004 .

Synthesis and antagonistic activity at muscarinic receptor subtypes of some 2-carbonyl derivatives of diphenidol.

M. Recanatini, G. Marucci, P. Angeli, 1999, Bioorganic & medicinal chemistry.

Identification of a terphenyl derivative that blocks the cell cycle in the G0-G1 phase and induces differentiation in leukemia cells.

M. Recanatini, N. Gebbia, M. Roberti, 2006, 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.

Synthesis, cytotoxicity and SAR of simple geiparvarin analogues.

F. Belluti, A. Bisi, M. Recanatini, 1997, Anti-cancer drug design.

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

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

Identification of N-acylhydrazone derivatives as novel lactate dehydrogenase A inhibitors.

M. Recanatini, R. Buonfiglio, Matteo Masetti, 2015, European journal of medicinal chemistry.

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

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

Nonsteroidal aromatase inhibitors: Recent advances

A. Cavalli, M. Recanatini, P. Valenti, 2002, Medicinal research reviews.

Domino Knoevenagel/Diels–Alder sequence coupled to Suzuki reaction: a valuable synthetic platform for chemical biology

M. Recanatini, M. Roberti, Daniela Pizzirani, 2007 .

Potential antitumor agents. Part 29(1): synthesis and potential coanthracyclinic activity of imidazo[2,1-b]thiazole guanylhydrazones.

M. Recanatini, A. Andreani, A. Leoni, 2000, Bioorganic & medicinal chemistry.

Design and Synthesis of Multi Target Compounds for the Treatment of Alzheimer’s Disease

M. Recanatini, D. Ricerca, Scienze Farmaceutiche, 2009 .

Synthesis and screening for antiacetylcholinesterase activity of (1-benzyl-4-oxopiperidin-3-ylidene)methylindoles and -pyrroles related to donepezil.

A. Cavalli, M. Recanatini, A. Roda, 2001, Journal of medicinal chemistry.

Domino Knoevenagel/Diels—Alder Sequence Coupled to Suzuki Reaction: A Valuable Synthetic Platform for Chemical Biology.

M. Recanatini, M. Roberti, Daniela Pizzirani, 2008 .

Acetylcholinesterase inhibitors for potential use in Alzheimer's disease: molecular modeling, synthesis and kinetic evaluation of 11H-indeno-[1,2-b]-quinolin-10-ylamine derivatives.

A. Cavalli, V. Andrisano, V. Cavrini, 2000, Bioorganic & medicinal chemistry.

3-(4-[[Benzyl(methyl)amino]methyl]phenyl)-6,7-dimethoxy-2H-2-chromenone (AP2238) inhibits both acetylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation: a dual function lead for Alzheimer's disease therapy.

A. Cavalli, V. Andrisano, L. Piazzi, 2003, Journal of medicinal chemistry.

Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme.

A. Cavalli, L. Piazzi, F. Belluti, 2006, 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.

A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase.

A. Cavalli, F. Belluti, A. Bisi, 2001, Journal of medicinal chemistry.

An Introduction to Medicinal Chemistry 4th ed.

Paolo Tortorella, A Macchiarulo, Antonello Mai, 2010 .

Stereoselective binding of 2-(4-biphenylyl)-3-substituted-3-hydroxypropionic acids on an immobilised human serum albumin chiral stationary phase.

A. Cavalli, R. Gotti, V. Andrisano, 2002, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.

Stereoselective binding of 2,3-substituted 3-hydroxypropionic acids on an immobilised human serum albumin chiral stationary phase: stereochemical characterisation and quantitative structure-retention relationship study.

A. Cavalli, V. Andrisano, V. Cavrini, 2000, Journal of chromatography. A.

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.

Synthesis and conformational preferences of cyclic unnatural di- and tripeptides containing an l-valine unit: Part 2 ☆

M. Recanatini, G. Porzi, F. Piccinelli, 2005 .

Determination of the dissociation constants (pKa) of basic acetylcholinesterase inhibitors by reversed-phase liquid chromatography.

A. Cavalli, R. Gotti, V. Andrisano, 2002, Journal of chromatography. A.

Thin-layer chromatographic study of the lipophilicity of triazine herbicides: Influence of different organic modifiers

M. Recanatini, A. Sapone, G. Biagi, 1992 .

Study of lipophilic character of serotonergic ligands

M. Recanatini, K. Varani, A. Sapone, 1996 .

Determination of lipophilicity by means of reversed-phase thin-layer chromatography III. Study of the TLC equations for a series of ionizable quinolone derivatives

M. Recanatini, G. Biagi, A. Barbaro, 1994 .

Determination of lipophilicity by means of reversed-phase thin-layer chromatography: I. Basic aspects and relationship between slope and intercept of TLC equations

M. Recanatini, A. Sapone, G. Biagi, 1994 .

Galloflavin (CAS 568‐80‐9): A Novel Inhibitor of Lactate Dehydrogenase

M. Recanatini, R. Buonfiglio, M. Vettraino, 2012, ChemMedChem.

Acetylcholinesterase inhibitors as a starting point towards improved Alzheimer's disease therapeutics.

M. Recanatini, P. Valenti, 2004, Current pharmaceutical design.

Computational drug discovery under RNA times

M. Recanatini, M. Bernetti, Matteo Masetti, 2022, QRB Discovery.

Imidazolylmethylbenzophenones as highly potent aromatase inhibitors.

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

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.

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..

Revealing DNA interactions with exogenous agents by surface-enhanced Raman scattering.

M. Recanatini, R. Álvarez-Puebla, Matteo Masetti, 2015, Journal of the American Chemical Society.

Acetylcholinesterase inhibitors: SAR and kinetic studies on omega-[N-methyl-N-(3-alkylcarbamoyloxyphenyl)methyl]aminoalkoxyaryl derivatives.

A. Cavalli, V. Andrisano, V. Cavrini, 2001, Journal of medicinal chemistry.

Mechanistic insights into Pin1 peptidyl‐prolyl cis‐trans isomerization from umbrella sampling simulations

A. Cavalli, M. Recanatini, Matteo Masetti, 2014, Proteins.

The Use of Stilbene Scaffold in Medicinal Chemistry and Multi- Target Drug Design.

M. Recanatini, M. Roberti, E. Giacomini, 2016, Current medicinal chemistry.

Cyclin-dependent kinases: bridging their structure and function through computations.

A. Cavalli, G. Bottegoni, M. Recanatini, 2011, Future medicinal chemistry.

Drug Research Meets Network Science: Where Are We?

M. Recanatini, Chiara Cabrelle, 2020, Journal of medicinal chemistry.

Computational study of the phosphoryl transfer catalyzed by a cyclin-dependent kinase.

A. Cavalli, M. Recanatini, P. Carloni, 2007, Chemistry.

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

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

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.

Study of the lipophilic character of xanthine and adenosine derivatives. II, relationships between log K', RM and log P values

M. Recanatini, M. C. Guerra, S. Barbieri, 1990 .

Acetylcholinesterase noncovalent inhibitors based on a polyamine backbone for potential use against Alzheimer's disease.

M L Bolognesi, A. Cavalli, V. Andrisano, 1998, Journal of medicinal chemistry.

Acetylcholinesterase inhibitors in the context of therapeutic strategies to combat Alzheimer’s disease

A. Cavalli, M. Recanatini, 2002 .

A Molecular Dynamics Study of Reovirus Attachment Protein σ1 Reveals Conformational Changes in σ1 Structure

A. Cavalli, M. Recanatini, G. Folkers, 2004 .

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.

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

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

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 .

SAR of 9-amino-1,2,3,4-tetrahydroacridine-based acetylcholinesterase inhibitors: synthesis, enzyme inhibitory activity, QSAR, and structure-based CoMFA of tacrine analogues.

A. Cavalli, V. Andrisano, V. Cavrini, 2000, Journal of medicinal chemistry.

A Natural-Like Synthetic Small Molecule Impairs Bcr-Abl Signaling Cascades and Induces Megakaryocyte Differentiation in Erythroleukemia Cells

S. Turroni, P. Brigidi, M. Recanatini, 2013, PloS one.

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.

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..

Lactate dehydrogenase inhibitors can reverse inflammation induced changes in colon cancer cells

M. Recanatini, G. Di Stefano, M. Roberti, 2017, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Determination of lipophilicity by means of reversed-phase thin-layer chromatography: II. Influence of the organic modifier on the slope of the thin-layer chromatographic equation

M. Recanatini, A. Sapone, G. Biagi, 1994 .

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.

COVIDrugNet: a network-based web tool to investigate the drugs currently in clinical trial to contrast COVID-19

M. Recanatini, Luca Menestrina, Chiara Cabrelle, 2021, Scientific Reports.

Study of the lipophilic character of xanthine and adenosine derivatives : I. RM and log P values

M. Recanatini, M. C. Guerra, S. Barbieri, 1990 .

A comparative QSAR analysis of acetylcholinesterase inhibitors currently studied for the treatment of Alzheimer's disease.

A. Cavalli, C. Hansch, M. Recanatini, 1997, Chemico-biological interactions.

LDH inhibition impacts on heat shock response and induces senescence of hepatocellular carcinoma cells

M. Recanatini, G. Di Stefano, M. Roberti, 2017, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

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.

Exploring complex protein-ligand recognition mechanisms with coarse metadynamics.

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

Some Basic Derivatives of Pummerer's Ketone

M. Recanatini, P. Valenti, Maria Magistretti, 1981, Archiv der Pharmazie.

Cytotoxicity of Simple Geiparvarin Analogues

M. Recanatini, A. Rampa, P. Valenti, 1988 .

Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics

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..

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

Partition and distribution coefficients of aryloxypropanolamine β‐adrenoceptor antagonists

M. Recanatini, 1992, The Journal of pharmacy and pharmacology.

A. Cavalli, R. Gotti, M. Recanatini, 1999, Journal of medicinal chemistry.

Cholinesterase inhibitors: xanthostigmine derivatives blocking the acetylcholinesterase-induced beta-amyloid aggregation.

A. Cavalli, V. Andrisano, L. Piazzi, 2005, Journal of medicinal chemistry.

Synthesis, antibacterial activity and structure-activity relationships of N-substituted 4-diazo-pyrazole-5-carboxamides. 2.

M. Recanatini, B. Cacciari, S. Manfredini, 1991, Il Farmaco.

Network modeling helps to tackle the complexity of drug-disease systems.

M. Recanatini, Luca Menestrina, 2023, WIREs mechanisms of disease.

[4-[[N-(3-chlorophenyl)carbamoyl]oxy]-2-butynyl]-trimethylammonium (McN-A-343)-related compounds. Effect of the butynyl chain inclusion into an aromatic unit on the potency for muscarinic receptors.

A. Cavalli, V. Andrisano, M. Recanatini, 2000, Bioorganic & medicinal chemistry.

Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes.

A. Cavalli, M. Recanatini, M Recanatini, 1998, Bioorganic & medicinal chemistry.

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

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

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..

Ion Conduction through the hERG Potassium Channel

A. Cavalli, M. Recanatini, Matteo Masetti, 2012, PloS one.

Acetylcholinesterase inhibitors: synthesis and structure-activity relationships of omega-[N-methyl-N-(3-alkylcarbamoyloxyphenyl)- methyl]aminoalkoxyheteroaryl derivatives.

A. Cavalli, V. Andrisano, V. Cavrini, 1998, Journal of medicinal chemistry.

Antiproliferative Agents That Interfere with the Cell Cycle at the G1→S Transition: Further Development and Characterization of a Small Library of Stilbene‐Derived Compounds

A. Cavalli, M. Recanatini, N. Gebbia, 2008, ChemMedChem.

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..

Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force Fields

M. Recanatini, S. Furini, C. Domene, 2020, J. Chem. Inf. Model..

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

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

Structural and Kinetic Characterization of the Intrinsically Disordered Protein SeV NTAIL through Enhanced Sampling Simulations.

A. Cavalli, M. Blackledge, M. Recanatini, 2017, The journal of physical chemistry. B.

Modeling lipid raft domains containing a mono-unsaturated phosphatidylethanolamine species

A. Cavalli, G. Bottegoni, M. Recanatini, 2015 .

Innovative Strategy toward Mutant CFTR Rescue in Cystic Fibrosis: Design and Synthesis of Thiadiazole Inhibitors of the E3 Ligase RNF5

M. Recanatini, N. Pedemonte, E. Romeo, 2023, Journal of medicinal chemistry.

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

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

Structure–Activity Relationships and Binding Mode in the Human Acetylcholinesterase Active Site of Pseudo‐Irreversible Inhibitors Related to Xanthostigmine

A. Cavalli, V. Andrisano, F. Belluti, 2009, ChemMedChem.

Sequential Virtual Screening Approach to the Identification of Small Organic Molecules as Potential BACE‐1 Inhibitors

A. Cavalli, V. Andrisano, M. Recanatini, 2011, Chemical biology & drug design.

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.

Cholinesterase inhibitors: SAR and enzyme inhibitory activity of 3-[omega-(benzylmethylamino)alkoxy]xanthen-9-ones.

V. Andrisano, L. Piazzi, F. Belluti, 2007, Bioorganic & medicinal chemistry.

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 Automated Docking Protocol for hERG Channel Blockers

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

Cyclin-dependent kinases: bridging their structure and function through computations.

A. Cavalli, G. Bottegoni, M. Recanatini, 2011, Future medicinal chemistry.

Structure-based design of small-molecule protein-protein interaction modulators: the story so far.

M. Recanatini, F. Falchi, F. Caporuscio, 2014, Future medicinal chemistry.

Halogenated Dimefline‐type Derivatives

M. Recanatini, P. Valenti, L. Cima, 1983, Archiv der Pharmazie.

Probing the transport of Ni(II) ions through the internal tunnels of the Helicobacter pylori UreDFG multimeric protein complex.

M. Recanatini, S. Ciurli, Matteo Masetti, 2021, Journal of inorganic biochemistry.

Insights in 17β-HSD1 Enzyme Kinetics and Ligand Binding by Dynamic Motion Investigation

M. Recanatini, M. Negri, R. Hartmann, 2010, PloS one.

Computational design and discovery of "minimally structured" hERG blockers.

A. Cavalli, M. Recanatini, R. Buonfiglio, 2012, Journal of medicinal chemistry.

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

Maurizio Recanatini, M. Recanatini, 2018, Future medicinal chemistry.

Structure-activity relationships of acetylcholinesterase noncovalent inhibitors based on a polyamine backbone. 2. Role of the substituents on the phenyl ring and nitrogen atoms of caproctamine.

A. Cavalli, V. Andrisano, M. Bartolini, 2003, Journal of medicinal chemistry.