Carlos A. Montanari

According to our database, Carlos A. Montanari authored at least 11 papers between 2010 and 2022.

Collaborative distances:

• Dijkstra number of six.
• 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 A. 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 A. 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 A. 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 A. Montanari

J. Chem. Inf. Model., 2020

2017

The influence of hydrogen bonding on partition coefficients.

Nádia Melo Borges, Peter W. Kenny, Carlos A. 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 A. Montanari

J. Comput. Aided Mol. Des., 2014

2013

Automated molecule editing in molecular design.

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

J. Comput. Aided Mol. Des., 2013

Inflation of correlation in the pursuit of drug-likeness.

Peter W. Kenny, Carlos A. 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 A. 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 A. Montanari, M. Madalena Pinto

Proceedings of the Advances in Bioinformatics, 2010