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Journal of Chemical Theory and Computation|November 6, 2008
The Design of a Next Generation Force Field: The X-POL PotentialWangshen Xie, Jiali GaoThe Journal of Physical Chemistry. A|January 7, 2009
A coupled polarization-matrix inversion and iteration approach for accelerating the dipole convergence in a polarizable potential functionWangshen Xie, Jingzhi Pu, Jiali GaoThe Journal of Chemical Physics|June 24, 2008
The variational explicit polarization potential and analytical first derivative of energy: Towards a next generation force fieldWangshen Xie, Lingchun Song, Donald G Truhlar, et al.The Journal of Physical Chemistry. B|October 22, 2008
Incorporation of a QM/MM buffer zone in the variational double self-consistent field methodWangshen Xie, Lingchun Song, Donald G Truhlar, et al.Journal of Chemical Theory and Computation|May 22, 2010
X-Pol Potential: An Electronic Structure-Based Force Field for Molecular Dynamics Simulation of a Solvated Protein in WaterWangshen Xie, Modesto Orozco, Donald G Truhlar, et al.Journal of Chemical Theory and Computation|October 30, 2008
Development of a polarizable intermolecular potential function (PIPF) for liquid amides and alkanesWangshen Xie, Jingzhi Pu, Alexander D Mackerell, et al.The Journal of Physical Chemistry. A|July 22, 2009
Explicit polarization (X-Pol) potential using ab initio molecular orbital theory and density functional theoryLingchun Song, Jaebeom Han, Yen-lin Lin, et al.Journal of Chemical Theory and Computation|August 10, 2010
A Non-Orthogonal Block-Localized Effective Hamiltonian Approach for Chemical and Enzymatic ReactionsAlessandro Cembran, Apirak Payaka, Yen-Lin Lin, et al.Langmuir : the ACS Journal of Surfaces and Colloids|August 3, 2011
All-atom and coarse-grained molecular dynamics simulations of a membrane protein stabilizing polymerJason D Perlmutter, William J Drasler, Wangshen Xie, et al.Pageof 1