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First-Shell Solvation of Ion Pairs: Correction of Systematic Errors in Implicit Solvent Models†
Salt bridges play an important role in protein stability, protein-protein interactions, and protein folding. The electrostatic solvation free energies of the analogues of charged amino acid sideExpand
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What role do surfaces play in GB models? A new‐generation of surface‐generalized born model based on a novel gaussian surface for biomolecules
We have developed a version of our surface generalized Born (SGB) model that employs a Gaussian surface, as opposed to the van der Waals surface used previously. The Gaussian surface is smooth andExpand
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Superclose and superconvergence of finite element discretizations for the Stokes equations with damping
  • D. Shi, Zhiyun Yu
  • Mathematics, Computer Science
  • Appl. Math. Comput.
  • 1 March 2013
A class of conforming mixed finite element methods (FEMs) are applied to the Stokes equations with damping. With the help of the prior estimates for the exact and approximated solutions and theExpand
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Pareto optimization of serial-batching scheduling problems on two agents
This paper studies the two-agent scheduling on an unbounded serial-batching machine. In the problem, there are two agents A and B each having their respective job sets. The jobs of different agentExpand
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Least-Squares Method of EQrot/1 Nonconforming Finite Element for Convection-Diffusion Problems
In this paper, a least-squares method of EQ 1 nonconforming finite element(NFE) is proposed for convection-diffusion problems. The existence and uniqueness of the approximate solutions are proved.Expand
The stabilized least-squares nonconforming mixed finite element approximation for the convection-diffusion problem
In this paper, we use a nonconforming mixed finite element to approximate the convection-diffusion problem by the stabilized least-squares method. we convert the original system of second-orderExpand
Low-Order Nonconforming Mixed Finite Element Methods for Stationary Incompressible Magnetohydrodynamics Equations
The nonconforming mixed finite element methods (NMFEMs) are introduced and analyzed for the numerical discretization of a nonlinear, fully coupled stationary incompressible magnetohydrodynamics (MHD)Expand
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