Novel scheme to study structural and thermal properties of continuously deformable molecules
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Molecular dynamics, monte carlo simulations, and langevin dynamics: a computational reviewSpeed-up of Monte Carlo simulations by sampling of rejected states.Role of histone tails in chromatin folding revealed by a mesoscopic oligonucleosome model.Collapse transitions in thermosensitive multi-block copolymers: a Monte Carlo study.Crucial role of dynamic linker histone binding and divalent ions for DNA accessibility and gene regulation revealed by mesoscale modeling of oligonucleosomes.On the vapor-liquid equilibrium of attractive chain fluids with variable degree of molecular flexibility.Absolute free energies and equilibrium ensembles of dense fluids computed from a nondynamic growth method.Exploring the discrepancies between experiment, theory, and simulation for the homogeneous gas-to-liquid nucleation of 1-pentanol.Understanding interactions between capped nanocrystals: three-body and chain packing effects.Improving the efficiency of configurational-bias Monte Carlo: a density-guided method for generating bending angle trials for linear and branched molecules.Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment.Molecular dynamics simulations of transport and separation of carbon dioxide-alkane mixtures in carbon nanopores.Method for sampling compact configurations for semistiff polymers.An analytical approximation for the orientation-dependent excluded volume of tangent hard sphere chains of arbitrary chain length and flexibility.Critical-point and coexistence-curve properties of the Lennard-Jones fluid: A finite-size scaling study.Efficient global biopolymer sampling with end-transfer configurational bias Monte Carlo.Algorithmic generation of freely jointed hard sphere chains and properties of their inertial tensors.Determination of the critical micelle concentration in simulations of surfactant systems.Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.Incorporating configurational-bias Monte Carlo into the Wang-Landau algorithm for continuous molecular systems.Monte Carlo study of shear-induced alignment of cylindrical micelles in thin films.Flexible polyelectrolyte simulations at the Poisson-Boltzmann level: a comparison of the kink-jump and multigrid configurational-bias Monte Carlo methods.Binary phase behavior and aggregation of dilute methanol in supercritical carbon dioxide: a Monte Carlo simulation study.Molecular simulation of the binary mixture of 1-1-1-2-tetrafluoroethane and carbon dioxide.The phase behavior of linear and partially flexible hard-sphere chain fluids and the solubility of hard spheres in hard-sphere chain fluids.Isotropic-nematic phase equilibria of hard-sphere chain fluids-Pure components and binary mixtures.A biased Monte Carlo scheme for zeolite structure solutionNumerical prediction of the melting curve ofn-octaneRecoil growth algorithm for chain molecules with continuous interactionsRecoil growth: An efficient simulation method for multi-polymer systemsA Systematic Optimization Scheme for Configurational Bias Monte CarloSimulation study of the isotropic-to-nematic transitions of semiflexible polymersNumerical test of the generalized Flory and generalized Flory dimer theoriesSimulation study of a two-dimensional system of semiflexible polymersComment on ‘‘Determination of the chemical potential of polymeric systems from Monte Carlo simulations’’Improving the efficiency of the configurational-bias Monte Carlo algorithm
P2860
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P2860
Novel scheme to study structural and thermal properties of continuously deformable molecules
description
im März 1992 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в березні 1992
@uk
name
Novel scheme to study structur ...... tinuously deformable molecules
@en
Novel scheme to study structur ...... tinuously deformable molecules
@nl
type
label
Novel scheme to study structur ...... tinuously deformable molecules
@en
Novel scheme to study structur ...... tinuously deformable molecules
@nl
prefLabel
Novel scheme to study structur ...... tinuously deformable molecules
@en
Novel scheme to study structur ...... tinuously deformable molecules
@nl
P356
P1476
Novel scheme to study structur ...... tinuously deformable molecules
@en
P2093
G C A M Mooij
P304
P356
10.1088/0953-8984/4/12/006
P577
1992-03-23T00:00:00Z