Alessio Lodola

发表

Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8

Daniele Pala, Andrea Rizzi, Anna Maria Capelli, 2017, J. Chem. Inf. Model..

Quantum Mechanics/Molecular Mechanics Modeling of Covalent Addition between EGFR-Cysteine 797 and N-(4-Anilinoquinazolin-6-yl) Acrylamide

Alessio Lodola, Silvia Rivara, Marco Mor, 2015, J. Chem. Inf. Model..

Correction to Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8

Daniele Pala, Andrea Rizzi, Anna Maria Capelli, 2017, J. Chem. Inf. Model..

Combining Ligand- and Structure-Based Approaches for the Discovery of New Inhibitors of the EPHA2-ephrin-A1 Interaction

Matteo Incerti, Alessio Lodola, Silvia Rivara, 2014, J. Chem. Inf. Model..

Relationship between chiroptical properties, structural changes and interactions in enzymes: A computational study on beta-lactamases from class A

Alessio Lodola, Christo Z. Christov, Tatyana G. Karabencheva, 2008, Comput. Biol. Chem..

Structure-Based Virtual Screening of MT2 Melatonin Receptor: Influence of Template Choice and Structural Refinement

Woody Sherman, Daniele Pala, Thijs Beuming, 2013, J. Chem. Inf. Model..

Metadynamics for Perspective Drug Design: Computationally Driven Synthesis of New Protein-Protein Interaction Inhibitors Targeting the EphA2 Receptor.

Daniele Pala, Paola Vicini, Matteo Incerti, 2017, Journal of medicinal chemistry.

Insights into the mechanism and inhibition of fatty acid amide hydrolase from quantum mechanics/molecular mechanics (QM/MM) modelling.

Adrian J Mulholland, Alessio Lodola, Marco Mor, 2009, Biochemical Society Transactions.

Cyclohexylcarbamic acid 3'- or 4'-substituted biphenyl-3-yl esters as fatty acid amide hydrolase inhibitors: synthesis, quantitative structure-activity relationships, and molecular modeling studies.

Giovanni Piersanti, Daniele Piomelli, Alessio Lodola, 2004, Journal of medicinal chemistry.

Discovery of potent and reversible monoacylglycerol lipase inhibitors.

Daniele Piomelli, Alessio Lodola, Marco Mor, 2009, Chemistry & biology.

Targeting Eph/ephrin system in cancer therapy.

Matteo Incerti, Alessio Lodola, Massimiliano Tognolini, 2017, European journal of medicinal chemistry.

Synthesis and quantitative structure-activity relationship of fatty acid amide hydrolase inhibitors: modulation at the N-portion of biphenyl-3-yl alkylcarbamates.

Giovanni Piersanti, Daniele Piomelli, Alessio Lodola, 2008, Journal of medicinal chemistry.

The increasing role of QM/MM in drug discovery.

Marco De Vivo, Alessio Lodola, M. De Vivo, 2012, Advances in protein chemistry and structural biology.

Structure–Property Relationships of a Class of Carbamate‐Based Fatty Acid Amide Hydrolase (FAAH) Inhibitors: Chemical and Biological Stability

Claudia Silva, Alessandro Fioni, Daniele Piomelli, 2009, ChemMedChem.

Getting it right: modeling of pH, solvent and "nearly" everything else in virtual screening of biological targets.

Pietro Cozzini, Glen E Kellogg, Francesca Spyrakis, 2004, Journal of molecular graphics & modelling.

Exploiting Free-Energy Minima to Design Novel EphA2 Protein-Protein Antagonists: From Simulation to Experiment and Return.

Daniele Pala, Paola Vicini, Matteo Incerti, 2016, Chemistry.

Conformational effects in enzyme catalysis: reaction via a high energy conformation in fatty acid amide hydrolase.

Adrian J Mulholland, Daniele Piomelli, Alessio Lodola, 2007, Biophysical journal.