![](https://dblp.uni-trier.de/img/logo.ua.320x120.png)
![](https://dblp.uni-trier.de/img/dropdown.dark.16x16.png)
![](https://dblp.uni-trier.de/img/peace.dark.16x16.png)
Остановите войну!
for scientists:
![search dblp search dblp](https://dblp.uni-trier.de/img/search.dark.16x16.png)
![search dblp](https://dblp.uni-trier.de/img/search.dark.16x16.png)
default search action
Carlos Alberto Montanari
Person information
Refine list
![note](https://dblp.uni-trier.de/img/note-mark.dark.12x12.png)
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
Journal Articles
- 2022
- [j14]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) - 2021
- [j13]Vinícius Bonatto
, Anwar Shamim, Fernanda dos R. Rocho
, Andrei Leitão
, F. Javier Luque
, Jerônimo Lameira
, Carlos Alberto Montanari
:
Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. J. Chem. Inf. Model. 61(9): 4733-4744 (2021) - 2020
- [j12]Clauber Henrique Costa
, Vinícius Bonatto
, Alberto M. dos Santos, Jerônimo Lameira
, Andrei Leitão
, Carlos Alberto Montanari
:
Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors. J. Chem. Inf. Model. 60(2): 880-889 (2020) - [j11]José Rogério A. Silva
, Lorenzo Cianni
, Deborah Araujo, Pedro Henrique Jatai Batista
, Daniela de Vita
, Fabiana Rosini, Andrei Leitão
, Jerônimo Lameira
, Carlos Alberto Montanari
:
Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism. J. Chem. Inf. Model. 60(3): 1666-1677 (2020) - 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) - 2014
- [j9]Peter W. Kenny, Andrei Leitão
, Carlos Alberto Montanari
:
Ligand efficiency metrics considered harmful. J. Comput. Aided Mol. Des. 28(7): 699-710 (2014) - 2013
- [j8]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) - [j7]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) - [j6]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) - 2010
- [j5]Renato F. Freitas, Renato de Lima Bauab, Carlos Alberto Montanari
:
Novel Application of 2D and 3D-Similarity Searches To Identify Substrates among Cytochrome P450 2C9, 2D6, and 3A4. J. Chem. Inf. Model. 50(1): 97-109 (2010) - 2008
- [j4]Rafael V. C. Guido
, Glaucius Oliva
, Carlos Alberto Montanari, Adriano D. Andricopulo:
Structural Basis for Selective Inhibition of Trypanosomatid Glyceraldehyde-3-Phosphate Dehydrogenase: Molecular Docking and 3D QSAR Studies. J. Chem. Inf. Model. 48(4): 918-929 (2008) - 2003
- [j3]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:
3D QSAR studies on binding affinities of coumarin natural products for glycosomal GAPDH of Trypanosoma cruzi. J. Comput. Aided Mol. Des. 17(5-6): 277-290 (2003) - 2002
- [j2]Anderson Coser Gaudio, Carlos Alberto Montanari:
HEPT derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase: QSAR studies agree with the crystal structures. J. Comput. Aided Mol. Des. 16(4): 287-295 (2002) - 1996
- [j1]Carlos Alberto Montanari, M. S. Tute, A. E. Beezer, Julie C. Mitchell:
Determination of receptor-bound drug conformations by QSAR using flexible fitting to derive a molecular similarity index. J. Comput. Aided Mol. Des. 10(1): 67-73 (1996)
Conference and Workshop Papers
- 2010
- [c1]Elisangela V. Costa, M. Emília Sousa, Josmar R. Rocha, Carlos Alberto Montanari
, M. Madalena Pinto:
Structure Based Design of Potential Inhibitors of Steroid Sulfatase. IWPACBB 2010: 151-156
Coauthor Index
![](https://dblp.uni-trier.de/img/cog.dark.24x24.png)
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from ,
, and
to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and
to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from .
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2024-08-05 21:16 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint