M Aschi

Affiliations

Department of Physical and Chemical Sciences, University of L'Aquila, Via Vetoio, 67100 L'Aquila, Italy.

Publications (31)

Kinetic Profile and Molecular Dynamic Studies Show that Y229W Substitution in an NDM-1/L209F Variant Restores the Hydrolytic Activity of the Enzyme toward Penicillins, Cephalosporins, and Carbapenems.

Antimicrobial agents and chemotherapy

Avec: Alessandra Piccirilli , Fabrizia Brisdelli , Massimiliano Aschi , Giuseppe Celenza , Gianfranco Amicosante , Mariagrazia Perilli

Stationary and Time-Dependent Carbon Monoxide Stretching Mode Features in Carboxy Myoglobin: A Theoretical-Computational Reappraisal.

The journal of physical chemistry. B

Avec: Andrea Amadei , Massimiliano Aschi

Theoretical and experimental study on the O(

Physical chemistry chemical physics : PCCP

Avec: Andrea Giustini , Massimiliano Aschi , Heejune Park , Giovanni Meloni

Plasmon-enhanced circular dichroism spectroscopy of chiral drug solutions.

The Journal of chemical physics

Avec: Matteo Venturi , Raju Adhikary , Ambaresh Sahoo , Carino Ferrante , Isabella Daidone , Francesco Di Stasio , Andrea Toma , Francesco Tani , Hatice Altug , Antonio Mecozzi , Massimiliano Aschi , Andrea Marini

Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.

Organic & biomolecular chemistry

Avec: Antonio Arcadi , Massimiliano Aschi , Marco Chiarini , Fabio Marinelli , Vincenzo Marsicano , Gustavo Portalone

Effect of the Incorporation of Functionalized Cyclodextrins in the Liposomal Bilayer.

Molecules (Basel, Switzerland)

Avec: Romina Zappacosta , Benedetta Cornelio , Serena Pilato , Gabriella Siani , François Estour , Massimiliano Aschi , Antonella Fontana

Structural characterization and biological activity of Crabrolin peptide isoforms with different positive charge.

Biochimica et biophysica acta. Biomembranes

Avec: M Aschi , N Perini , N Bouchemal , C Luzi , P Savarin , L Migliore , A Bozzi , M Sette

Experimental and computational evidence on gold-catalyzed regioselective hydration of phthalimido-protected propargylamines: an entry to β-amino ketones.

Organic & biomolecular chemistry

Avec: Vincenzo Marsicano , Antonio Arcadi , Massimiliano Aschi , Véronique Michelet

On the Statistical Regime, Coherence versus Incoherence and Ergodicity of Quantum Vibrational Trajectories in Soft Condensed Molecular Systems.

Chemphyschem : a European journal of chemical physics and physical chemistry

Avec: Andrea Amadei , Massimiliano Aschi

Fine-tuning of membrane permeability by reversible photoisomerization of aryl-azo derivatives of thymol embedded in lipid nanoparticles.

Colloids and surfaces. B, Biointerfaces

Avec: Samanta Moffa , Simone Carradori , Francesco Melfi , Antonella Fontana , Michele Ciulla , Pietro Di Profio , Massimiliano Aschi , Rafal Damian Wolicki , Serena Pilato , Gabriella Siani

Embedding calix[4]resorcinarenes in liposomes: Experimental and computational investigation of the effect of resorcinarene inclusion on liposome properties and stability.

Biochimica et biophysica acta. Biomembranes

Avec: Romina Zappacosta , Massimiliano Aschi , Alessandra Ammazzalorso , Pietro Di Profio , Antonella Fontana , Gabriella Siani

Calixarene-based artificial ionophores for chloride transport across natural liposomal bilayer: Synthesis, structure-function relationships, and computational study.

Biochimica et biophysica acta. Biomembranes

Avec: Serena Pilato , Massimiliano Aschi , Margherita Bazzoni , Federica Cester Bonati , Gianpiero Cera , Samanta Moffa , Valentino Canale , Michele Ciulla , Andrea Secchi , Arturo Arduini , Antonella Fontana , Gabriella Siani

Correction: Theoretical and experimental study on the O(

Physical chemistry chemical physics : PCCP

Avec: Andrea Giustini , Massimiliano Aschi , Heejune Park , Giovanni Meloni

Evidence of a Distinctive Enantioselective Binding Mode for the Photoinduced Radical Cyclization of α-Chloroamides in Ene-Reductases.

ACS catalysis

Avec: Matteo Capone , Gianluca Dell'Orletta , Bryce T Nicholls , Gregory D Scholes , Todd K Hyster , Massimiliano Aschi , Isabella Daidone

What Contributes to the Measured Chiral Optical Response of the Glutathione-Protected Au

ACS nano

Avec: Marta Monti , María Francisca Matus , Sami Malola , Alessandro Fortunelli , Massimiliano Aschi , Mauro Stener , Hannu Häkkinen

A general model for Covid-19 epidemic kinetics: application to italian and german data.

Theoretical biology forum

Avec: Andrea Amadei , Massimiliano Aschi

Experimental Results and Mechanistic Insights on the Reactions of Indolylmethyl Acetates with Soft Carbon Pronucleophiles.

ACS omega

Avec: Antonio Arcadi , Massimiliano Aschi , Marco Chiarini , Giancarlo Fabrizi , Andrea Fochetti , Antonella Goggiamani , Federica Iavarone , Antonia Iazzetti , Andrea Serraiocco , Roberta Zoppoli

Electrochemical-Induced Cascade Reaction of 2-Formyl Benzonitrile with Anilines: Synthesis of

Molecules (Basel, Switzerland)

Avec: Valerio Morlacci , Tonino Caruso , Marco Chiarini , Antonio Arcadi , Massimiliano Aschi , Laura Palombi

Theoretical-Computational Modeling of Gas-State Thermodynamics in Flexible Molecular Systems: Ionic Liquids in the Gas Phase as a Case Study.

Molecules (Basel, Switzerland)

Avec: Andrea Amadei , Andrea Ciccioli , Antonello Filippi , Caterina Fraschetti , Massimiliano Aschi

The Conformational Dynamics of the Ligands Determines the Electronic Circular Dichroism of the Chiral Au

The journal of physical chemistry letters

Avec: M Monti , G Brancolini , E Coccia , D Toffoli , A Fortunelli , S Corni , M Aschi , M Stener

Direct Regioselective Hydro(hetero)arylation/Cyclocondensation Reactions of β-(2-Aminophenyl)-α,β-ynones by Means of Transition-Metal Catalysis/Brønsted Acid Synergism: Experimental Results and Computational Insights.

The Journal of organic chemistry

Avec: Vincenzo Marsicano , Antonio Arcadi , Massimiliano Aschi , Marco Chiarini , Giancarlo Fabrizi , Antonella Goggiamani , Fabio Marinelli , Antonia Iazzetti

Modelling vibrational relaxation in complex molecular systems.

Physical chemistry chemical physics : PCCP

Avec: Andrea Amadei , Massimiliano Aschi

Cooperative protein-solvent tuning of proton transfer energetics: carbonic anhydrase as a case study.

Physical chemistry chemical physics : PCCP

Avec: Laura Zanetti-Polzi , Massimiliano Aschi , Isabella Daidone

A Combined Experimental and Computational Study of Halogen and Hydrogen Bonding in Molecular Salts of 5-Bromocytosine.

Molecules (Basel, Switzerland)

Avec: Massimiliano Aschi , Giorgia Toto Brocchi , Gustavo Portalone

Alternative Fast and Slow Primary Charge-Separation Pathways in Photosystem II.

Angewandte Chemie (International ed. in English)

Avec: Matteo Capone , Abhishek Sirohiwal , Massimiliano Aschi , Dimitrios A Pantazis , Isabella Daidone

Theoretical-Computational Modeling of CD Spectra of Aqueous Monosaccharides by Means of Molecular Dynamics Simulations and Perturbed Matrix Method.

Molecules (Basel, Switzerland)

Avec: Massimiliano Aschi , Laura Palombi , Andrea Amadei

Unrevealing the nitrogen elusive chirality of 3-sulfanyl and 3-sulfinyl N-tosyl isoindolinones by ECD spectra: an experimental and theoretical investigation.

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Laura Palombi , Marta Monti , Erica Scarel , Valerio Morlacci , Mauro Stener , Massimiliano Aschi

A computational approach for modeling electronic circular dichroism of solvated chromophores.

Journal of computational chemistry

Avec: Marta Monti , Mauro Stener , Massimiliano Aschi

A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole.

Molecules (Basel, Switzerland)

Avec: Cheng Giuseppe Chen , Massimiliano Aschi , Marco D'Abramo , Andrea Amadei

Product Selectivity Control in the Brønsted Acid-Mediated Reactions with 2-Alkynylanilines.

Molecules (Basel, Switzerland)

Avec: Valerio Morlacci , Massimiliano Aschi , Marco Chiarini , Caterina Momoli , Laura Palombi , Antonio Arcadi

Mechanisms in the Synthesis of S-Alcohols with 1,4-NADH Biomimetic Co-factor N-Benzyl-1,4-dihydronicotinamide using Horse Liver Alcohol Dehydrogenase: A Hybrid Computational Study.

Chembiochem : a European journal of chemical biology

Avec: Matteo Farina , Matteo Capone , Enrico Bodo , Richard H Fish , Massiliano Aschi , Alessandro Marrone , Isabella Daidone

Réseau de co-auteurs

Massimiliano Aschi 28 collaborations

Andrea Amadei 7 collaborations

Antonio Arcadi 6 collaborations

Isabella Daidone 5 collaborations

Marco Chiarini 5 collaborations

Gabriella Siani 4 collaborations

Antonella Fontana 4 collaborations

Laura Palombi 4 collaborations

Vincenzo Marsicano 3 collaborations

Serena Pilato 3 collaborations

Matteo Capone 3 collaborations

Marta Monti 3 collaborations

Mauro Stener 3 collaborations

Valerio Morlacci 3 collaborations

Andrea Giustini 2 collaborations

Heejune Park 2 collaborations

Giovanni Meloni 2 collaborations

Fabio Marinelli 2 collaborations

Gustavo Portalone 2 collaborations

Romina Zappacosta 2 collaborations

Samanta Moffa 2 collaborations

Michele Ciulla 2 collaborations

Pietro Di Profio 2 collaborations

Giancarlo Fabrizi 2 collaborations

Antonella Goggiamani 2 collaborations

Antonia Iazzetti 2 collaborations

Alessandra Piccirilli 1 collaboration

Fabrizia Brisdelli 1 collaboration

Giuseppe Celenza 1 collaboration

Gianfranco Amicosante 1 collaboration

Mariagrazia Perilli 1 collaboration

Matteo Venturi 1 collaboration

Raju Adhikary 1 collaboration

Ambaresh Sahoo 1 collaboration

Carino Ferrante 1 collaboration

Francesco Di Stasio 1 collaboration

Andrea Toma 1 collaboration

Francesco Tani 1 collaboration

Hatice Altug 1 collaboration

Antonio Mecozzi 1 collaboration

Andrea Marini 1 collaboration

Benedetta Cornelio 1 collaboration

François Estour 1 collaboration

N Perini 1 collaboration

N Bouchemal 1 collaboration

C Luzi 1 collaboration

P Savarin 1 collaboration

L Migliore 1 collaboration

A Bozzi 1 collaboration

M Sette 1 collaboration

Véronique Michelet 1 collaboration

Simone Carradori 1 collaboration

Francesco Melfi 1 collaboration

Rafal Damian Wolicki 1 collaboration

Alessandra Ammazzalorso 1 collaboration

Margherita Bazzoni 1 collaboration

Federica Cester Bonati 1 collaboration

Gianpiero Cera 1 collaboration

Valentino Canale 1 collaboration

Andrea Secchi 1 collaboration

Arturo Arduini 1 collaboration

Gianluca Dell'Orletta 1 collaboration

Bryce T Nicholls 1 collaboration

Gregory D Scholes 1 collaboration

Todd K Hyster 1 collaboration

María Francisca Matus 1 collaboration

Sami Malola 1 collaboration

Alessandro Fortunelli 1 collaboration

Hannu Häkkinen 1 collaboration

Andrea Fochetti 1 collaboration

Federica Iavarone 1 collaboration

Andrea Serraiocco 1 collaboration

Roberta Zoppoli 1 collaboration

Tonino Caruso 1 collaboration

Andrea Ciccioli 1 collaboration

Antonello Filippi 1 collaboration

Caterina Fraschetti 1 collaboration

M Monti 1 collaboration

G Brancolini 1 collaboration

E Coccia 1 collaboration

D Toffoli 1 collaboration

A Fortunelli 1 collaboration

S Corni 1 collaboration

M Stener 1 collaboration

Laura Zanetti-Polzi 1 collaboration

Giorgia Toto Brocchi 1 collaboration

Abhishek Sirohiwal 1 collaboration

Dimitrios A Pantazis 1 collaboration

Erica Scarel 1 collaboration

Cheng Giuseppe Chen 1 collaboration

Marco D'Abramo 1 collaboration

Caterina Momoli 1 collaboration

Matteo Farina 1 collaboration

Enrico Bodo 1 collaboration

Richard H Fish 1 collaboration

Massiliano Aschi 1 collaboration

Alessandro Marrone 1 collaboration