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Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations.
Rusu, Victor H; Santos, Denys E S; Poleto, Marcelo D; Galheigo, Marcelo M; Gomes, Antônio T A; Verli, Hugo; Soares, Thereza A; Lins, Roberto D.
Affiliation
  • Rusu VH; Swiss National Supercomputing Centre, Lugano, Ticino 6900, Switzerland.
  • Santos DES; Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, Pernambuco 50740-640, Brazil.
  • Poleto MD; Department of General Biology, Federal University of Viçosa, Viçosa, Minas Gerais 36570-000, Brazil.
  • Galheigo MM; Brazilian National Scientific Computing Laboratory, Petrópolis, Rio de Janeiro 25651-075, Brazil.
  • Gomes ATA; Brazilian National Scientific Computing Laboratory, Petrópolis, Rio de Janeiro 25651-075, Brazil.
  • Verli H; Center for Biotechnology, Federal University of Rio Grande do Sul, Rio Grande do Sul 91500-970, Brazil.
  • Soares TA; Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, Pernambuco 50740-640, Brazil.
  • Lins RD; Aggeu Magalhães Institute, Oswaldo Cruz Foundation, Recife, Pernambuco 50740-465, Brazil.
J Chem Inf Model ; 60(12): 5923-5927, 2020 12 28.
Article in En | MEDLINE | ID: mdl-33213140
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Algorithms / Computers Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2020 Document type: Article Affiliation country: Country of publication:
Fulltext
Add to My VHL
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Algorithms / Computers Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2020 Document type: Article Affiliation country: Country of publication: