Point Charges Optimally Placed to Represent the Multipole Expansion of Charge Distributions

Natural polarizability and flexibility via explicit valency: The case of water

(2012) Seyit Kale et al.   JOURNAL OF CHEMICAL PHYSICS

Charge Hydration Asymmetry: The Basic Principle and How to Use It to Test and Improve Water Models

(2012) Abhishek Mukhopadhyay et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Coarse-graining the electrostatic potential via distributed multipole expansions

(2011) Apostol Gramada et al.   COMPUTER PHYSICS COMMUNICATIONS

The large quadrupole of water molecules

(2011) Shuqiang Niu et al.   JOURNAL OF CHEMICAL PHYSICS

AnnlognGeneralized Born Approximation

(2011) Ramu Anandakrishnan et al.   Journal of Chemical Theory and Computation

Understanding structural effects of multipole moments on aqueous solvation of ions using the soft-sticky dipole–quadrupole–octupole water model

(2010) Jerez A. Te et al.   CHEMICAL PHYSICS LETTERS

Molecular dynamics simulations of protein dynamics and their relevance to drug discovery

(2010) Freddie R Salsbury Jr   CURRENT OPINION IN PHARMACOLOGY

Characterization of the accuracy of the fast multipole method in particle simulations

(2009) Felipe A. Cruz et al.   INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING

Recent advances in implicit solvent-based methods for biomolecular simulations

(2008) Jianhan Chen et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

An analytical approach to computing biomolecular electrostatic potential. II. Validation and applications

(2008) John C. Gordon et al.   JOURNAL OF CHEMICAL PHYSICS

A multipole-based water potential with implicit polarization for biomolecular simulations

(2008) T. R. Walsh et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

(2008) In Suk Joung et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Resolving a distribution of charge into intrinsic multipole moments: A rankwise distributed multipole analysis

(2008) Apostol Gramada et al.   PHYSICAL REVIEW E