Carlos Alberto Montanari

According to our database, Carlos Alberto Montanari authored at least 15 papers between 1996 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of five.

2022

Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces.

Alberto M. dos Santos, Amanda Ruslana Santana Oliveira, Clauber Henrique Costa, Peter W. Kenny, Carlos Alberto Montanari, Jaldyr de Jesus G. Varela, Jerônimo Lameira

J. Chem. Inf. Model., 2022

2021

Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations.

Vinícius Bonatto, Anwar Shamim, Fernanda dos R. Rocho, Andrei Leitão, F. Javier Luque, Jerônimo Lameira, Carlos Alberto Montanari

J. Chem. Inf. Model., 2021

2020

Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism.

José Rogério A. Silva, Lorenzo Cianni, Deborah Araujo, Pedro Henrique Jatai Batista, Daniela de Vita, Fabiana Rosini, Andrei Leitão, Jerônimo Lameira, Carlos Alberto Montanari

J. Chem. Inf. Model., 2020

Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors.

Clauber Henrique Costa, Vinícius Bonatto, Alberto M. dos Santos, Jerônimo Lameira, Andrei Leitão, Carlos Alberto Montanari

J. Chem. Inf. Model., 2020

2017

The influence of hydrogen bonding on partition coefficients.

Nádia Melo Borges, Peter W. Kenny, Carlos Alberto Montanari, Igor M. Prokopczyk, Jean F. R. Ribeiro, Josmar R. Rocha, Geraldo Rodrigues Sartori

J. Comput. Aided Mol. Des., 2017

2014

Ligand efficiency metrics considered harmful.

Peter W. Kenny, Andrei Leitão, Carlos Alberto Montanari

J. Comput. Aided Mol. Des., 2014

2013

Automated molecule editing in molecular design.

Peter W. Kenny, Carlos Alberto Montanari, Igor M. Prokopczyk, Fernanda A. Sala, Geraldo Rodrigues Sartori

J. Comput. Aided Mol. Des., 2013

ClogPalk: a method for predicting alkane/water partition coefficient.

Peter W. Kenny, Carlos Alberto Montanari, Igor M. Prokopczyk

J. Comput. Aided Mol. Des., 2013

Inflation of correlation in the pursuit of drug-likeness.

Peter W. Kenny, Carlos Alberto Montanari

J. Comput. Aided Mol. Des., 2013

2010

Novel Application of 2D and 3D-Similarity Searches To Identify Substrates among Cytochrome P450 2C9, 2D6, and 3A4.

Renato F. Freitas, Renato de Lima Bauab, Carlos Alberto Montanari

J. Chem. Inf. Model., 2010

Structure Based Design of Potential Inhibitors of Steroid Sulfatase.

Elisangela V. Costa, M. Emília Sousa, Josmar R. Rocha, Carlos Alberto Montanari, M. Madalena Pinto

Proceedings of the Advances in Bioinformatics, 2010

2008

Structural Basis for Selective Inhibition of Trypanosomatid Glyceraldehyde-3-Phosphate Dehydrogenase: Molecular Docking and 3D QSAR Studies.

Rafael V. C. Guido, Glaucius Oliva, Carlos Alberto Montanari, Adriano D. Andricopulo

J. Chem. Inf. Model., 2008

2003

3D QSAR studies on binding affinities of coumarin natural products for glycosomal GAPDH of Trypanosoma cruzi.

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

J. Comput. Aided Mol. Des., 2003

2002

HEPT derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase: QSAR studies agree with the crystal structures.

Anderson Coser Gaudio, Carlos Alberto Montanari

J. Comput. Aided Mol. Des., 2002

1996

Determination of receptor-bound drug conformations by QSAR using flexible fitting to derive a molecular similarity index.

Carlos Alberto Montanari, M. S. Tute, A. E. Beezer, Julie C. Mitchell

J. Comput. Aided Mol. Des., 1996