Nicola Porta

Integrating computational methods to predict mutagenicity of aromatic azo compounds

Emilio Benfenati, Alberto Manganaro, Serena Manganelli, 2017, Journal of environmental science and health. Part C, Environmental carcinogenesis & ecotoxicology reviews.

A knowledge-based expert rule system for predicting mutagenicity (Ames test) of aromatic amines and azo compounds.

E. Benfenati, A. Manganaro, Domenico Gadaleta, 2016, Toxicology.

Characterization of the nucleotide-binding domain NsrF from the BceAB-type ABC-transporter NsrFP from the human pathogen Streptococcus agalactiae

H. Gohlke, S. Smits, J. Schumacher, 2020, Scientific Reports.

QSAR Methods to Screen Endocrine Disruptors

E. Benfenati, A. Roncaglioni, M. Marzo, 2016 .

(Eco)toxicological maps: A new risk assessment method integrating traditional and in silico tools and its application in the Ledra River (Italy).

E. Benfenati, E. Aneggi, D. Goi, 2018, Environment international.

Identification and Characterization of the Haloperoxidase VPO-RR from Rhodoplanes roseus by Genome Mining and Structure-Based Catalytic Site Mapping

H. Gohlke, B. Usadel, Kathryn Dumschott, 2022, Catalysts.

Scaffold decoration at positions 5 and 8 of 1,2,4-triazolo[1,5-c]pyrimidines to explore the antagonist profiling on adenosine receptors: a preliminary structure-activity relationship study.

S. Moro, K. Klotz, S. Federico, 2014, Journal of medicinal chemistry.

7-Amino-2-phenylpyrazolo[4,3-d]pyrimidine derivatives: structural investigations at the 5-position to target human A₁ and A(2A) adenosine receptors. Molecular modeling and pharmacological studies.

S. Moro, K. Varani, F. Vincenzi, 2014, European journal of medicinal chemistry.

TopModel: Template-based protein structure prediction at low sequence identity using top-down consensus and deep neural networks.

Holger Gohlke, Daniel Mulnaes, Rebecca Clemens, 2020, Journal of chemical theory and computation.

5,7-Disubstituted-[1,2,4]triazolo[1,5-a][1,3,5]triazines as pharmacological tools to explore the antagonist selectivity profiles toward adenosine receptors.

S. Moro, K. Klotz, S. Federico, 2016, European journal of medicinal chemistry.

Small-molecule inhibitors of nisin resistance protein NSR from the human pathogen Streptococcus agalactiae.

H. Stark, H. Gohlke, S. Smits, 2019, Bioorganic & medicinal chemistry.