Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations

Author:

Rusu Victor H.1,Santos Denys E. S.2,Poleto Marcelo D.3ORCID,Galheigo Marcelo M.4,Gomes Antônio T. A.4,Verli Hugo5ORCID,Soares Thereza A.2ORCID,Lins Roberto D.6ORCID

Affiliation:

1. Swiss National Supercomputing Centre, Lugano, Ticino 6900, Switzerland

2. Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, Pernambuco 50740-640, Brazil

3. Department of General Biology, Federal University of Viçosa, Viçosa, Minas Gerais 36570-000, Brazil

4. Brazilian National Scientific Computing Laboratory, Petrópolis, Rio de Janeiro 25651-075, Brazil

5. Center for Biotechnology, Federal University of Rio Grande do Sul, Rio Grande do Sul 91500-970, Brazil

6. Aggeu Magalhães Institute, Oswaldo Cruz Foundation, Recife, Pernambuco 50740-465, Brazil

Funder

Funda??o de Amparo ? Ci?ncia e Tecnologia do Estado de Pernambuco

Centro de Pesquisas Aggeu Magalh?es, Funda??o Oswaldo Cruz

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Instituto Nacional de Ci?ncia e Tecnologia de Fluidos Complexos

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

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