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Conformational Strain of Macrocyclic Peptides in Ligand-Receptor Complexes Based on Advanced Refinement of Bound-State Conformers.
Brueckner, Alexander C; Deng, Qiaolin; Cleves, Ann E; Lesburg, Charles A; Alvarez, Juan C; Reibarkh, Mikhail Y; Sherer, Edward C; Jain, Ajay N.
Afiliação
  • Brueckner AC; Computational & Structural Chemistry, Merck & Co Inc, 2000 Galloping Hill Road, Kenilworth, New Jersey 07033, United States.
  • Deng Q; Computational & Structural Chemistry, Merck & Co Inc, 2000 Galloping Hill Road, Kenilworth, New Jersey 07033, United States.
  • Cleves AE; Bioengineering and Therapeutic Sciences, University of California San Francisco, Box 0128, San Francisco, California 94158, United States.
  • Lesburg CA; Computational and Structural Chemistry, Merck and Co Inc, 33 Avenue Louis Pasteur, Boston, Massachusetts 02115, United States.
  • Alvarez JC; Computational and Structural Chemistry, Merck and Co Inc, 33 Avenue Louis Pasteur, Boston, Massachusetts 02115, United States.
  • Reibarkh MY; Analytical Research and Development, Merck & Co Inc, 126 East Lincoln Avenue, Rahway, New Jersey 07065, United States.
  • Sherer EC; Analytical Research and Development, Merck & Co Inc, 126 East Lincoln Avenue, Rahway, New Jersey 07065, United States.
  • Jain AN; Bioengineering and Therapeutic Sciences, University of California San Francisco, Box 0128, San Francisco, California 94158, United States.
J Med Chem ; 64(6): 3282-3298, 2021 03 25.
Article em En | MEDLINE | ID: mdl-33724820
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Peptídeos Cíclicos / Compostos Macrocíclicos / Descoberta de Drogas Limite: Humans Idioma: En Revista: J Med Chem Assunto da revista: QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos
Texto completo
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XML
PubMed Links
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Peptídeos Cíclicos / Compostos Macrocíclicos / Descoberta de Drogas Limite: Humans Idioma: En Revista: J Med Chem Assunto da revista: QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos