Predicting the ΔΔGbind of halogenated reversible covalent inhibitors of hCatL through computer simulation (2019)
- Authors:
- USP affiliated authors: LEITÃO, ANDREI - IQSC ; MONTANARI, CARLOS ALBERTO - IQSC ; BONATTO, VINÍCIUS - IQSC ; CIANNI, LORENZO - IQSC ; ROCHO, FERNANDA DOS REIS - IQSC
- Unidade: IQSC
- Subjects: QUÍMICA MÉDICA; NEOPLASIAS
- Keywords: computational chemistry; molecular dynamics; free energy perturbation
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Publisher: Instituto de Química de São Carlos, IQSC, Universidade de São Paulo, USP
- Publisher place: São Paulo
- Date published: 2019
- Source:
- Título: Book of Abstracts
- Conference titles: The São Carlos Special Medicinal Chemistry Meeting - SancaMedChem2019
-
ABNT
LAMEIRA, Jerônimo et al. Predicting the ΔΔGbind of halogenated reversible covalent inhibitors of hCatL through computer simulation. 2019, Anais.. São Paulo: Instituto de Química de São Carlos, IQSC, Universidade de São Paulo, USP, 2019. Disponível em: http://sancamedchem.iqsc.usp.br/files/2019/11/Book-of-abstracts-SancaMedChem2019.pdf. Acesso em: 27 dez. 2025. -
APA
Lameira, J., Bonatto, V., Cianni, L., Rocho, F. dos R., Leitão, A., & Montanari, C. A. (2019). Predicting the ΔΔGbind of halogenated reversible covalent inhibitors of hCatL through computer simulation. In Book of Abstracts. São Paulo: Instituto de Química de São Carlos, IQSC, Universidade de São Paulo, USP. Recuperado de http://sancamedchem.iqsc.usp.br/files/2019/11/Book-of-abstracts-SancaMedChem2019.pdf -
NLM
Lameira J, Bonatto V, Cianni L, Rocho F dos R, Leitão A, Montanari CA. Predicting the ΔΔGbind of halogenated reversible covalent inhibitors of hCatL through computer simulation [Internet]. Book of Abstracts. 2019 ;[citado 2025 dez. 27 ] Available from: http://sancamedchem.iqsc.usp.br/files/2019/11/Book-of-abstracts-SancaMedChem2019.pdf -
Vancouver
Lameira J, Bonatto V, Cianni L, Rocho F dos R, Leitão A, Montanari CA. Predicting the ΔΔGbind of halogenated reversible covalent inhibitors of hCatL through computer simulation [Internet]. Book of Abstracts. 2019 ;[citado 2025 dez. 27 ] Available from: http://sancamedchem.iqsc.usp.br/files/2019/11/Book-of-abstracts-SancaMedChem2019.pdf - Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy
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