Items where Author is "Lodola, Alessio"

Callegari, Donatella, Pala, Daniela, Scalvini, Laura, Tognolini, Massimiliano, Incerti, Matteo, Rivara, Silvia, Mor, Marco and Lodola, Alessio (2015) Comparative analysis of virtual screening approaches in the search for novel EphA2 receptor antagonists. Molecules, 20 (9). pp. 17132-17151. ISSN 1420-3049

Christov, Christo, Lodola, Alessio, Karabencheva-Christova, Tatyana, Wan, Shunzhou, Coveney, Peter and Mulholland, Adrian (2013) Conformational effects on the pro-S hydrogen abstraction reaction in cyclooxygenase-1: an integrated QM/MM and MD study. Biophysical Journal, 104 (5). L5-L7. ISSN 0006-3495

Christov, Christo, Karabencheva-Christova, Tatyana and Lodola, Alessio (2008) Relationship between chiroptical properties, structural changes and interactions in enzymes: A computational study on β-lactamases from class A. Computational Biology and Chemistry, 32 (3). pp. 167-175. ISSN 1476-9271

Christov, Christo, Karabencheva-Christova, Tatyana and Lodola, Alessio (2008) Aromatic interactions and rotational strengths within protein environment: An electronic structural study on β-lactamases from class A. Chemical Physics Letters, 456 (1-3). pp. 89-95. ISSN 0009-2614

Lodola, Alessio, Mor, Marco, Rivara, Silvia, Christov, Christo, Tarzia, Giorgio, Piomelli, Daniele and Mulholland, Adrian (2008) Identification of productive inhibitor binding orientation in fatty acid amide hydrolase (FAAH) by QM/MM mechanistic modelling. Chemical Communications, 2008 (2). pp. 214-216. ISSN 1359-7345