RT Journal Article
T1 MSpin‐JCoupling. A modular program for prediction of scalar couplings and fast implementation of Karplus relationships
A1 Navarro-Vázquez, Armando
A1 Santamaría Fernández, Raquel
A1 Sardina López, Francisco Javier
K1 Karplus equation
K1 Open source
K1 Scalar couplings
K1 Software
AB MSpin‐JCoupling is a modular program for the prediction of scalar couplings using a large variety of Karplus relationships. The program was specially designed for small molecule analysis and can be run in graphical or command‐line mode. The architecture of the program is highly modular, and new equations can be rapidly implemented, through a complete C++ programming interface, and deployed as run‐time loadable plugins
PB Wiley
YR 2018
FD 2018-05-17
LK http://hdl.handle.net/10347/16982
UL http://hdl.handle.net/10347/16982
LA eng
NO Navarro-Vázquez, A., Santamaría-Fernández, R., & Sardina, F. (2018). MSpin-JCoupling. A modular program for prediction of scalar couplings and fast implementation of Karplus relationships. Magnetic Resonance In Chemistry, 56(6), 505-512. doi: 10.1002/mrc.4667
NO This is the peer reviewed version of the following article:Navarro-Vázquez, A., Santamaría-Fernández, R., & Sardina, F. (2018). MSpin-JCoupling. A modular program for prediction of scalar couplings and fast implementation of Karplus relationships. Magnetic Resonance In Chemistry, 56(6), 505-512, which has been published in final form at https://doi.org/10.1002/mrc.4667.This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions
NO Ministerio de Ciencia e Innovación. Grant Number: PET2008‐074Consellería de Cultura, Educación e Ordenación Universitaria, Xunta de Galicia. Grant Number: Consellería de Educación 2009/071Spanish Ministerio de Ciencia e Innovación. Grant Number: PET2008‐074Xunta de Galicia for a Parga Pondal. Grant Number: Consellería de Educación 2009/071
DS Minerva
RD 24 abr 2026