Search Results - "Jing, Zhifeng F."

Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields by Lagardère, Louis, Jolly, Luc-Henri, Lipparini, Filippo, Aviat, Félix, Stamm, Benjamin, Jing, Zhifeng F, Harger, Matthew, Torabifard, Hedieh, Cisneros, G Andrés, Schnieders, Michael J, Gresh, Nohad, Maday, Yvon, Ren, Pengyu Y, Ponder, Jay W, Piquemal, Jean-Philip

“…We present Tinker-HP, a massively MPI parallel package dedicated to classical molecular dynamics (MD) and to multiscale simulations, using advanced polarizable…”
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Polarizable Force Fields for Biomolecular Simulations: Recent Advances and Applications by Jing, Zhifeng, Liu, Chengwen, Cheng, Sara Y, Qi, Rui, Walker, Brandon D, Piquemal, Jean-Philip, Ren, Pengyu

“…Realistic modeling of biomolecular systems requires an accurate treatment of electrostatics, including electronic polarization. Due to recent advances in…”
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AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids by Zhang, Changsheng, Lu, Chao, Jing, Zhifeng, Wu, Chuanjie, Piquemal, Jean-Philip, Ponder, Jay W, Ren, Pengyu

“…The AMOEBA polarizable atomic multipole force field for nucleic acids is presented. Valence and electrostatic parameters were determined from high-level…”
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Elucidating the Phosphate Binding Mode of Phosphate-Binding Protein: The Critical Effect of Buffer Solution by Qi, Rui, Jing, Zhifeng, Liu, Chengwen, Piquemal, Jean-Philip, Dalby, Kevin N, Ren, Pengyu

“…Phosphate is an essential component of cell functions, and the specific transport of phosphorus into a cell is mediated by phosphate-binding protein (PBP). The…”
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Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fieldsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04531j by Lagardère, Louis, Jolly, Luc-Henri, Lipparini, Filippo, Aviat, Félix, Stamm, Benjamin, Jing, Zhifeng F, Harger, Matthew, Torabifard, Hedieh, Cisneros, G. Andrés, Schnieders, Michael J, Gresh, Nohad, Maday, Yvon, Ren, Pengyu Y, Ponder, Jay W, Piquemal, Jean-Philip

“…We present Tinker-HP, a massively MPI parallel package dedicated to classical molecular dynamics (MD) and to multiscale simulations, using advanced polarizable…”
Get full text

Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04531j by Lagardère, Louis, Jolly, Luc-Henri, Lipparini, Filippo, Aviat, Félix, Stamm, Benjamin, Jing, Zhifeng F., Harger, Matthew, Torabifard, Hedieh, Cisneros, G. Andrés, Schnieders, Michael J., Gresh, Nohad, Maday, Yvon, Ren, Pengyu Y., Ponder, Jay W., Piquemal, Jean-Philip

“…Tinker-HP is massively parallel software dedicated to polarizable molecular dynamics. We present Tinker-HP, a massively MPI parallel package dedicated to…”
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