D. Alberga

发表

Single-molecule detection with a millimetre-sized transistor

Gaetano Scamarcio, Kyriaki Manoli, Luisa Torsi, 2018, Nature Communications.

Enhancing the Sensitivity of Biotinylated Surfaces by Tailoring the Design of the Mixed Self-Assembled Monolayer Synthesis

L. Torsi, R. Picca, G. Scamarcio, 2020, ACS omega.

Multitarget Drug Design for Neurodegenerative Diseases

D. Alberga, G. Mangiatordi, O. Nicolotti, 2018 .

Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search †

D. Alberga, G. Mangiatordi, O. Nicolotti, 2019, Molecules.

A rational approach to elucidate human monoamine oxidase molecular selectivity

G. Lattanzi, D. Alberga, G. Mangiatordi, 2017, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Automated identification of structurally heterogeneous and patentable antiproliferative hits as potential tubulin inhibitors

R. Iacobazzi, N. Denora, D. Alberga, 2018, Chemical biology & drug design.

Persulfate Reaction in a Hair‐Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13‐Diamino‐4,7,10‐Trioxatridecane

D. Alberga, G. Mangiatordi, C. Goebel, 2018, ChemistryOpen.

Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: insights from theory.

I. Ciofini, C. Adamo, G. Lattanzi, 2015, Physical chemistry chemical physics : PCCP.

Novel chemotypes targeting tubulin at the colchicine binding site and unbiasing P-glycoprotein.

R. Iacobazzi, N. Denora, D. Alberga, 2017, European journal of medicinal chemistry.

Effects of Substituents on Transport Properties of Molecular Materials for Organic Solar Cells: A Theoretical Investigation

I. Ciofini, C. Adamo, G. Lattanzi, 2017 .

Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations.

A. Laio, P. Carloni, G. Lattanzi, 2016, Journal of chemical theory and computation.

Theoretical insights on acceptor-donor dyads for organic photovoltaics.

I. Ciofini, C. Adamo, G. Lattanzi, 2020, Physical chemistry chemical physics : PCCP.

Design, Synthesis, and Biological Evaluation of Tetrahydro‐β‐carboline Derivatives as Selective Sub‐Nanomolar Gelatinase Inhibitors

M. Coletta, D. Alberga, G. Mangiatordi, 2018, ChemMedChem.

Multidisciplinary study of a new ClC-1 mutation causing myotonia congenita: a paradigm to understand and treat ion channelopathies

G. Siciliano, E. Conte, R. Mantegazza, 2016, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

Revealing the Origins of Mechanically Induced Fluorescence Changes in Organic Molecular Crystals

I. Ciofini, L. Wilbraham, Fuyuki Ito, 2018, Advanced materials.

Design, synthesis, biological evaluation, NMR and DFT studies of structurally simplified trimethoxy benzamides as selective P‐glycoprotein inhibitors: the role of molecular flatness

C. Adamo, N. Colabufo, Mauro Niso, 2016, Chemical biology & drug design.

Trimethoxybenzanilide-based P-glycoprotein modulators: an interesting case of lipophilicity tuning by intramolecular hydrogen bonding.

F. Berardi, R. Perrone, N. Colabufo, 2014, Journal of medicinal chemistry.

Optoeletronic properties of poly(N‐alkenyl‐carbazole)s driven by polymer stereoregularity

C. Adamo, A. Rubino, D. Alberga, 2018 .

Identification of a Point Mutation Impairing the Binding between Aquaporin-4 and Neuromyelitis Optica Autoantibodies*

G. Lattanzi, D. Alberga, G. Mangiatordi, 2014, The Journal of Biological Chemistry.

A new gating site in human aquaporin-4: Insights from molecular dynamics simulations.

Valentina Benfenati, Domenico Alberga, Orazio Nicolotti, 2014, Biochimica et biophysica acta.

Single-molecule detection with a millimetre-sized transistor

L. Torsi, G. Scamarcio, F. Torricelli, 2018, Nature Communications.

Molecular Docking for Predictive Toxicology.

Daniela Trisciuzzi, Domenico Alberga, Francesco Leonetti, 2018, Methods in molecular biology.

ClC‐1 mutations in myotonia congenita patients: insights into molecular gating mechanisms and genotype–phenotype correlation

G. Lattanzi, G. Siciliano, R. Micheli, 2015, The Journal of physiology.

CATMoS: Collaborative Acute Toxicity Modeling Suite

Kimberley M. Zorn, Daniel P. Russo, Timothy E. H. Allen, 2021, Environmental health perspectives.

Exploring the role of elongation Factor-Like 1 (EFL1) in Shwachman-Diamond syndrome through molecular dynamics

M. Saviano, D. Alberga, G. Mangiatordi, 2019, Journal of biomolecular structure & dynamics.

Strategies of Virtual Screening in Medicinal Chemistry

Daniela Trisciuzzi, Domenico Alberga, Francesco Leonetti, 2020, Data Analytics in Medicine.

Mind the Gap! A Journey towards Computational Toxicology

Angelo Carotti, Saverio Cellamare, Daniela Trisciuzzi, 2016, Molecular informatics.

Effects of different self-assembled monolayers on thin-film morphology: a combined DFT/MD simulation protocol.

G. Lattanzi, D. Alberga, G. Mangiatordi, 2015, Langmuir : the ACS journal of surfaces and colloids.

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Ruili Huang, Scott Boyer, Xin Hu, 2020, Environmental health perspectives.

Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the Future

Daniela Trisciuzzi, Domenico Alberga, Orazio Nicolotti, 2016, International journal of molecular sciences.

Organic bioelectronics probing conformational changes in surface confined proteins

Kyriaki Manoli, Maria Magliulo, Luisa Torsi, 2016, Scientific Reports.

Theoretical Investigation of Hole Transporter Materials for Energy Devices

I. Ciofini, C. Adamo, G. Lattanzi, 2015 .

Effects of Anthryl Groups on the Charge Transport and Photovoltaic Properties of Small Triarylamine‐Based Donor‐Acceptor Molecules: A Joint Experimental and Theoretical Study

C. Adamo, J. Roncali, S. Jungsuttiwong, 2017 .

De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization

Nicola Amoroso, Daniela Trisciuzzi, Orazio Nicolotti, 2020, J. Chem. Inf. Model..

Effects of Annealing and Residual Solvents on Amorphous P3HT and PBTTT Films

L. Torsi, G. Lattanzi, D. Alberga, 2014 .

Comparative molecular dynamics study of neuromyelitis optica-immunoglobulin G binding to aquaporin-4 extracellular domains.

A. Verkman, J. Bennett, G. Lattanzi, 2017, Biochimica et biophysica acta. Biomembranes.

Structural Characterization of the Full-Length Anti-CD20 Antibody Rituximab

R. Caliandro, D. Alberga, G. Mangiatordi, 2022, Frontiers in Molecular Biosciences.

Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals

Kamel Mansouri, Daniela Trisciuzzi, Orazio Nicolotti, 2017, J. Chem. Inf. Model..

Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields.

Domenico Alberga, Orazio Nicolotti, Giuseppe Felice Mangiatordi, 2015, Biochimica et biophysica acta.

Understanding complexity of physiology by combined molecular simulations and experiments: anion channels as a proof of concept

D. Alberga, G. Mangiatordi, 2016, The Journal of physiology.