Carlos Alberto Montanari

15 papers Journal 14Unranked 1

Year	Rank	Type	Title / Venue / Authors
2022	J	`jnl`	Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. J. Chem. Inf. Model. Alberto M. dos Santos, Amanda Ruslana Santana Oliveira, Clauber Henrique Costa, Peter W. Kenny, Carlos Alberto Montanari, Jaldyr de Jesus G. Varela, Jerônimo Lameira
2021	J	`jnl`	Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. J. Chem. Inf. Model. Vinícius Bonatto, Anwar Shamim, Fernanda dos R. Rocho, Andrei Leitão, F. Javier Luque, Jerônimo Lameira, Carlos Alberto Montanari
2020	J	`jnl`	Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism. J. Chem. Inf. Model. José Rogério A. Silva, Lorenzo Cianni, Deborah Araujo, Pedro Henrique Jatai Batista, Daniela de Vita, Fabiana Rosini, Andrei Leitão, Jerônimo Lameira, Carlos Alberto Montanari
2020	J	`jnl`	Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors. J. Chem. Inf. Model. Clauber Henrique Costa, Vinícius Bonatto, Alberto M. dos Santos, Jerônimo Lameira, Andrei Leitão, Carlos Alberto Montanari
2017	J	`jnl`	The influence of hydrogen bonding on partition coefficients. J. Comput. Aided Mol. Des. Nádia Melo Borges, Peter W. Kenny, Carlos Alberto Montanari, Igor M. Prokopczyk, Jean F. R. Ribeiro, Josmar R. Rocha, Geraldo Rodrigues Sartori
2014	J	`jnl`	Ligand efficiency metrics considered harmful. J. Comput. Aided Mol. Des. Peter W. Kenny, Andrei Leitão, Carlos Alberto Montanari
2013	J	`jnl`	Automated molecule editing in molecular design. J. Comput. Aided Mol. Des. Peter W. Kenny, Carlos Alberto Montanari, Igor M. Prokopczyk, Fernanda A. Sala, Geraldo Rodrigues Sartori
2013	J	`jnl`	ClogPalk: a method for predicting alkane/water partition coefficient. J. Comput. Aided Mol. Des. Peter W. Kenny, Carlos Alberto Montanari, Igor M. Prokopczyk
2013	J	`jnl`	Inflation of correlation in the pursuit of drug-likeness. J. Comput. Aided Mol. Des. Peter W. Kenny, Carlos Alberto Montanari
2010	J	`jnl`	Novel Application of 2D and 3D-Similarity Searches To Identify Substrates among Cytochrome P450 2C9, 2D6, and 3A4. J. Chem. Inf. Model. Renato F. Freitas, Renato de Lima Bauab, Carlos Alberto Montanari
2010	—	`conf`	Structure Based Design of Potential Inhibitors of Steroid Sulfatase. IWPACBB Elisangela V. Costa, M. Emília Sousa, Josmar R. Rocha, Carlos Alberto Montanari, M. Madalena Pinto
2008	J	`jnl`	Structural Basis for Selective Inhibition of Trypanosomatid Glyceraldehyde-3-Phosphate Dehydrogenase: Molecular Docking and 3D QSAR Studies. J. Chem. Inf. Model. Rafael V. C. Guido, Glaucius Oliva, Carlos Alberto Montanari, Adriano Defini Andricopulo
2003	J	`jnl`	3D QSAR studies on binding affinities of coumarin natural products for glycosomal GAPDH of Trypanosoma cruzi. J. Comput. Aided Mol. Des. Irwin Rose de Alencar Menezes, Julio Cesar Dias Lopes, Carlos Alberto Montanari, Glaucius Oliva, Fernando Pavão, Marcelo Santos Castilho, Paulo C. Vieira, Mônica Tallarico Pupo
2002	J	`jnl`	HEPT derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase: QSAR studies agree with the crystal structures. J. Comput. Aided Mol. Des. Anderson Coser Gaudio, Carlos Alberto Montanari
1996	J	`jnl`	Determination of receptor-bound drug conformations by QSAR using flexible fitting to derive a molecular similarity index. J. Comput. Aided Mol. Des. Carlos Alberto Montanari, M. S. Tute, A. E. Beezer, Julie C. Mitchell