Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy (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
- DOI: 10.1039/c9cp04820k
- Subjects: QUÍMICA MÉDICA; CINÉTICA QUÍMICA; FÁRMACOS; NEOPLASIAS
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: Physical Chemistry Chemical Physics
- ISSN: 1463-9076
- Volume/Número/Paginação/Ano: v. 21, p. 24723-24730
- Este periódico é de assinatura
- Este artigo NÃO é de acesso aberto
- Cor do Acesso Aberto: closed
-
ABNT
LAMEIRA, Jerônimo et al. Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy. Physical Chemistry Chemical Physics, v. 21, p. 24723-24730, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04820K. Acesso em: 27 dez. 2025. -
APA
Lameira, J., Bonatto, V., Cianni, L., Rocho, F. dos R., Leitão, A., & Montanari, C. A. (2019). Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy. Physical Chemistry Chemical Physics, 21, 24723-24730. doi:10.1039/c9cp04820k -
NLM
Lameira J, Bonatto V, Cianni L, Rocho F dos R, Leitão A, Montanari CA. Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 24723-24730.[citado 2025 dez. 27 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04820K -
Vancouver
Lameira J, Bonatto V, Cianni L, Rocho F dos R, Leitão A, Montanari CA. Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 24723-24730.[citado 2025 dez. 27 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04820K - Predicting the ΔΔGbind of halogenated reversible covalent inhibitors of hCatL through computer simulation
- Fat or flat?: The impact of dipole moment vectors on non-covalent interactions between aromatic tags and macromolecules
- Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations
- The Effect of Dipeptidyl Nitrile Derivatives on Pancreatic Ductal Adenocarcinoma Cells In Vitro
- Nitriles: an attractive approach to the development of covalent inhibitors
- Design, synthesis and stepwise optimization of nitrile-based inhibitors of cathepsins B and L
- Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors
- A patent review on cathepsin K inhibitors to treat osteoporosis (2011 – 2021)
- Can Cysteine Protease Cross-Class Inhibitors Achieve Selectivity?
- Exploring Nirmatrelvir derivatives through P2 substituent modifications and warhead innovations targeting the main protease of SARS-CoV-2
Informações sobre o DOI: 10.1039/c9cp04820k (Fonte: oaDOI API)
Download do texto completo
| Tipo | Nome | Link | |
|---|---|---|---|
 |
P18514.pdf |
How to cite
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
