𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Early recognition of clusters in molecular dynamics

✍ Scribed by C. Dorso; J. Randrup


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
433 KB
Volume
301
Category
Article
ISSN
0370-2693

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Efficient recognition of clusters in mol
✍ A Puente πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 116 KB

An efficient energy-based method is presented for recognizing stable clusters in molecular dynamics simulations of interacting particles. This method is able to identify and characterize the average fragment distribution well before spatial separation takes place and provides an improvement upon the

Pattern recognition in molecular dynamic
✍ Wojciech H. Zurek; William C. Schieve πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 442 KB

An alg~orithm for the recognition of the formation of bound molecular states in the computer simulation of a dilule ga~ L~ pre.\*.enled. Apptication~ to various related problems in physics and che;aistr y are pointed out. Data structure and ded~m proce~e~ are described. Performar, ce of the FORTRAN

Molecular dynamics implementation in MSI
✍ Nisanth N. Nair; Thomas Bredow; Karl Jug πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 229 KB

## Abstract Born–Oppenheimer molecular dynamics is implemented in the semiempirical self‐consistent field molecular orbital method MSINDO. The method is employed for the investigation of the structure and dynamics of silicon clusters of various sizes. The reliability of the present parameterization

Protein dynamics and conformational diso
✍ Tanja Mittag; Lewis E. Kay; Julie D. Forman-Kay πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 616 KB

## Abstract Recognition requires protein flexibility because it facilitates conformational rearrangements and induced‐fit mechanisms upon target binding. Intrinsic disorder is an extreme on the continuous spectrum of possible protein dynamics and its role in recognition may seem counterintuitive. H