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Journal Articles
- 2022
[j12]Alberto M. dos Santos
, Amanda Ruslana Santana Oliveira, Clauber Henrique Costa, Peter W. Kenny, Carlos Alberto Montanari, Jaldyr de Jesus G. Varela, Jerônimo Lameira:
Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. J. Chem. Inf. Model. 62(17): 4083-4094 (2022)- 2019
- [j11]Peter W. Kenny:
The nature of ligand efficiency. J. Cheminformatics 11(1): 8:1-8:18 (2019) - 2017
- [j10]Nádia Melo Borges, Peter W. Kenny, Carlos Alberto Montanari, Igor M. Prokopczyk, Jean F. R. Ribeiro, Josmar R. Rocha, Geraldo Rodrigues Sartori:
The influence of hydrogen bonding on partition coefficients. J. Comput. Aided Mol. Des. 31(2): 163-181 (2017) - [j9]Peter W. Kenny:
Comment on The Ecstasy and Agony of Assay Interference Compounds. J. Chem. Inf. Model. 57(11): 2640-2645 (2017) - 2014
- [j8]Peter W. Kenny, Andrei Leitão, Carlos Alberto Montanari:
Ligand efficiency metrics considered harmful. J. Comput. Aided Mol. Des. 28(7): 699-710 (2014) - 2013
- [j7]Peter W. Kenny, Carlos Alberto Montanari:
Inflation of correlation in the pursuit of drug-likeness. J. Comput. Aided Mol. Des. 27(1): 1-13 (2013) - [j6]Peter W. Kenny, Carlos Alberto Montanari, Igor M. Prokopczyk:
ClogPalk: a method for predicting alkane/water partition coefficient. J. Comput. Aided Mol. Des. 27(5): 389-402 (2013) - [j5]Peter W. Kenny, Carlos Alberto Montanari, Igor M. Prokopczyk, Fernanda A. Sala, Geraldo Rodrigues Sartori:
Automated molecule editing in molecular design. J. Comput. Aided Mol. Des. 27(8): 655-664 (2013) - 2012
- [j4]Peter W. Kenny:
Computation, experiment and molecular design. J. Comput. Aided Mol. Des. 26(1): 69-72 (2012) - 2009
- [j3]Niklas Blomberg, David A. Cosgrove, Peter W. Kenny, Karin Kolmodin:
Design of compound libraries for fragment screening. J. Comput. Aided Mol. Des. 23(8): 513-525 (2009) - [j2]Peter W. Kenny:
Hydrogen Bonding, Electrostatic Potential, and Molecular Design. J. Chem. Inf. Model. 49(5): 1234-1244 (2009) - 1994
- [j1]David E. Clark, Gareth Jones, Peter Willett, Peter W. Kenny, Robert C. Glen:
Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching. J. Chem. Inf. Comput. Sci. 34(1): 197-206 (1994)
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