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gmak: A Parameter-Space Mapping Strategy for Force-Field Calibration

  • Published:2023-01-12 Issue:2 Volume:19 Page:605-618
  • ISSN:1549-9618
  • Container-title:Journal of Chemical Theory and Computation
  • language:en
  • Short-container-title:J. Chem. Theory Comput.

Author:

Gonçalves Yan M. H.12ORCID,Horta Bruno A. C.123ORCID

Affiliation:

1. Instituto de Química, Universidade Federal do Rio de Janeiro, Rio de Janeiro 21941-909, Brazil

2. Peers Consulting & Technology, Av. Ibirapuera, 1753-18° andar, Moema, São Paulo, São Paulo 04029-90, Brazil

3. Laboratory of Applied Intelligence, University of Vale do Itajaí, Itajaí, Santa Catarina 88302-901, Brazil

Funder

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Funda??o Carlos Chagas Filho de Amparo ? Pesquisa do Estado do Rio de Janeiro

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

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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