Software Publications:

Tinker 8

Tinker 8: Software Tools for Molecular Design, J. A. Rackers, Z. Wang, C. Lu, M. L. Laury, L. Lagardere, M. J. Schnieders, J.-P. Piquemal, P. Ren and J. W. Ponder, J. Chem. Theory Comput., 14, 5273-5289 (2018)


Raising the Performance of the Tinker-HP Molecular Modeling Package, L.-H. Jolly, A. Duran, L. Lagardere, J. W. Ponder, P. Ren and J.-P. Piquemal, LiveCoMS, 1, 2.10409 (2019)
Tinker-HP: A Massively Parallel Molecular Dynamics Package for Multiscale Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields, L. Lagardere, L.-H. Jolly, F. Lipparini, F. Aviat, B. Stamm, Z. F. Jing, M. Harger, H. Torabifard, G. A. Cisneros, M. J. Schnieders, N. Gresh, Y. Maday, P. Y. Ren, J. W. Ponder and J.-P. Piquemal, Chem. Sci., 9, 956-972 (2018)


Tinker-OpenMM: Absolute and Relative Alchemical Free Energies Using AMOEBA on GPUs, M. Harger, D. Li, Z. Wang, K. Dalby, L. Lagardere, J.-P. Piquemal, J. Ponder and P. Ren, J. Comput. Chem., 38, 2047-2055 (2017)

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