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CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field.
Lee, Jumin; Cheng, Xi; Swails, Jason M; Yeom, Min Sun; Eastman, Peter K; Lemkul, Justin A; Wei, Shuai; Buckner, Joshua; Jeong, Jong Cheol; Qi, Yifei; Jo, Sunhwan; Pande, Vijay S; Case, David A; Brooks, Charles L; MacKerell, Alexander D; Klauda, Jeffery B; Im, Wonpil.
Afiliação
  • Lee J; Department of Molecular Biosciences and Center for Computational Biology, The University of Kansas , Lawrence, Kansas 66047, United States.
  • Cheng X; Department of Molecular Biosciences and Center for Computational Biology, The University of Kansas , Lawrence, Kansas 66047, United States.
  • Swails JM; Department of Chemistry and Chemical Biology, Rutgers University , Piscataway, New Jersey 08854, United States.
  • Yeom MS; Korean Institute of Science and Technology Information , Yuseong-gu, Daejeon 305-806, Korea.
  • Eastman PK; Department of Bioengineering, Stanford University , Stanford, California 94035, United States.
  • Lemkul JA; Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland , Baltimore, Maryland 21201, United States.
  • Wei S; Department of Chemistry and the Biophysics Program, University of Michigan , Ann Arbor, Michigan 48109, United States.
  • Buckner J; Department of Chemistry and the Biophysics Program, University of Michigan , Ann Arbor, Michigan 48109, United States.
  • Jeong JC; Cancer Research Institute, Beth Israel Deaconess Cancer Center, Harvard Medical School , Boston, Massachusetts 02215, United States.
  • Qi Y; Department of Molecular Biosciences and Center for Computational Biology, The University of Kansas , Lawrence, Kansas 66047, United States.
  • Jo S; Leadership Computing Facility, Argonne National Laboratory , 9700 Cass Avenue, Building 240, Argonne, Illinois 60439, United States.
  • Pande VS; Department of Bioengineering, Stanford University , Stanford, California 94035, United States.
  • Case DA; Department of Chemistry and Chemical Biology, Rutgers University , Piscataway, New Jersey 08854, United States.
  • Brooks CL; Department of Chemistry and the Biophysics Program, University of Michigan , Ann Arbor, Michigan 48109, United States.
  • MacKerell AD; Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland , Baltimore, Maryland 21201, United States.
  • Klauda JB; Department of Chemical and Biomolecular Engineering and the Biophysics Program, University of Maryland , College Park, Maryland 20742, United States.
  • Im W; Department of Molecular Biosciences and Center for Computational Biology, The University of Kansas , Lawrence, Kansas 66047, United States.
J Chem Theory Comput ; 12(1): 405-13, 2016 Jan 12.
Article em En | MEDLINE | ID: mdl-26631602
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Bicamadas Lipídicas Tipo de estudo: Guideline Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Estados Unidos
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Bicamadas Lipídicas Tipo de estudo: Guideline Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Estados Unidos