Structure and Behavior of Human α-Thrombin upon Ligand Recognition: Thermodynamic and Molecular Dynamics Studies

Vivian de Almeira Silva; Maria Thereza Cargnelutti; Guilherme M. Giesel; Leonardo C. Palmieri; Robson Q. Monteiro; Hugo Verli; Luis Mauricio T. R. Lima

doi:10.1371/journal.pone.0024735

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Peer-reviewed

Research Article

Structure and Behavior of Human α-Thrombin upon Ligand Recognition: Thermodynamic and Molecular Dynamics Studies

Vivian de Almeira Silva ,

Contributed equally to this work with: Vivian de Almeira Silva, Maria Thereza Cargnelutti

Affiliations School of Pharmacy, Federal University of Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil, Federal Institute of Rio de Janeiro for Science and Technology Education, Rio de Janeiro, Brazil, Medical Biochemistry Institute, Federal University of Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil
⨯
Maria Thereza Cargnelutti ,

Contributed equally to this work with: Vivian de Almeira Silva, Maria Thereza Cargnelutti

Affiliations School of Pharmacy, Federal University of Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil, Medical Biochemistry Institute, Federal University of Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil
⨯
Guilherme M. Giesel,

Affiliations School of Pharmacy, Federal University of Rio Grande do Sul, Porto Alegre, Brazil, Center for Biotechnology, Federal University of Rio Grande do Sul, Porto Alegre, Brazil
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Leonardo C. Palmieri,

Affiliation School of Pharmacy, Federal University of Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil
⨯
Robson Q. Monteiro,

Affiliation Medical Biochemistry Institute, Federal University of Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil
⨯
Hugo Verli ,

* E-mail: mauricio@pharma.ufrj.br (LMTRL); hverli@cbiot.ufrgs.br (HV)

Affiliations School of Pharmacy, Federal University of Rio Grande do Sul, Porto Alegre, Brazil, Center for Biotechnology, Federal University of Rio Grande do Sul, Porto Alegre, Brazil
⨯
Luis Mauricio T. R. Lima

* E-mail: mauricio@pharma.ufrj.br (LMTRL); hverli@cbiot.ufrgs.br (HV)

Affiliation School of Pharmacy, Federal University of Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil
⨯

Structure and Behavior of Human α-Thrombin upon Ligand Recognition: Thermodynamic and Molecular Dynamics Studies

Vivian de Almeira Silva,
Maria Thereza Cargnelutti,
Guilherme M. Giesel,
Leonardo C. Palmieri,
Robson Q. Monteiro,
Hugo Verli,
Luis Mauricio T. R. Lima

Published: September 14, 2011
https://doi.org/10.1371/journal.pone.0024735

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