Molecular Simulation

Recent advances in molecular simulation
pp. 515-515(1)
Author: Delhommelle, Jerome

Atomistic simulation of mixed-lipid bilayers: mixed methods for mixed membranes
pp. 516-524(9)
Author: Kindt, James

Non-adiabatic dynamics of interfacial systems: a case study of a nanoparticle penetration into a lipid bilayer
pp. 525-536(12)
Authors: Ban, Young-Min; Tasseff, Ryan; Kopelevich, Dmitry

Loops MC: an all-atom Monte Carlo simulation program for RNAs based on inverse kinematic loop closure
pp. 537-556(20)
Author: Mak, C. H.

Computational design and characterisation of artificial enzymes for Kemp elimination
pp. 557-571(15)
Authors: Sparta, Manuel; Alexandrova, Anastassia

Density functional theory calculations of redox properties of iron-sulphur protein analogues
pp. 572-590(19)
Authors: Niu, Shuqiang; Ichiye, Toshiko

Approaching post-Hartree-Fock quality potential energy surfaces with simple pair-wise expressions: parameterising point-charge-based force fields for liquid water using the adaptive force matching method
pp. 591-605(15)
Authors: Wang, Feng; Akin-Ojo, Omololu; Pinnick, Eric; Song, Yang

Approximating the dynamical evolution of systems of strongly interacting overdamped particles
pp. 606-612(7)
Author: Whitelam, Stephen

Crystal nucleation and growth from supercooled melts
pp. 613-620(8)
Author: Delhommelle, J.

On the relationship between the structure of metal-organic frameworks and the adsorption and diffusion of hydrogen
pp. 621-639(19)
Authors: Suraweera, Nethika; Xiong, Ruichang; Luna, J. P.; Nicholson, Donald; Keffer, David

One-dimensional adsorption and diffusion in Zn(tbip)
pp. 640-646(7)
Authors: Liu, Jinchen; Lee, Jeong Yong; Pan, Long; Obermyer, Richard; Simizu, Satoru; Zande, Brian; Sankar, S. G.; Li, Jing; Johnson, J. Karl