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Literature DB >> 8901641

DL_POLY_2.0: a general-purpose parallel molecular dynamics simulation package.

Abstract

DL_POLY_2.0 is a general-purpose parallel molecular dynamics simulation package developed at Daresbury Laboratory under the auspices of the Council for the Central Laboratory of the Research Councils. Written to support academic research, it has a wide range of applications and is designed to run on a wide range of computers: from single processor workstations to parallel supercomputers. Its structure, functionality, performance, and availability are described.

Mesh：

Year: 1996 PMID： 8901641 DOI： 10.1016/s0263-7855(96)00043-4

Source DB: PubMed Journal: J Mol Graph ISSN： 0263-7855

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Cited

102 in total

1. Dynamics-function correlation in Cu, Zn superoxide dismutase: a spectroscopic and molecular dynamics simulation study.

Authors: M Falconi; M E Stroppolo; P Cioni; G Strambini; A Sergi; M Ferrario; A Desideri
Journal: Biophys J Date: 2001-06 Impact factor: 4.033

2. Temperature behavior of the Kohlrausch exponent for a series of vinylic polymers modelled by an all-atomistic approach.

Authors: S Palato; N Metatla; A Soldera
Journal: Eur Phys J E Soft Matter Date: 2011-09-22 Impact factor: 1.890

DL_POLY_2.0: a general-purpose parallel molecular dynamics simulation package.

1. Dynamics-function correlation in Cu, Zn superoxide dismutase: a spectroscopic and molecular dynamics simulation study.

2. Temperature behavior of the Kohlrausch exponent for a series of vinylic polymers modelled by an all-atomistic approach.

3. Analysis methods for identifying coordinated movements during ligand unbinding.

4. Unwrapping of nucleosomal DNA ends: a multiscale molecular dynamics study.

5. Coupled electron transfer and proton hopping in the final step of CYP19-catalyzed androgen aromatization.

6. Simulation of nanoparticle permeation through a lipid membrane.

7. Protons may leak through pure lipid bilayers via a concerted mechanism.

8. Surface viscosity, diffusion, and intermonolayer friction: simulating sheared amphiphilic bilayers.

9. Exploring global motions and correlations in the ribosome.

10. Unbinding pathways of an agonist and an antagonist from the 5-HT3 receptor.