scholarly journals Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide

2020 ◽  
Vol 153 (5) ◽  
pp. 054115 ◽  
Author(s):  
Yusuke Mori ◽  
Kei-ichi Okazaki ◽  
Toshifumi Mori ◽  
Kang Kim ◽  
Nobuyuki Matubayasi
Keyword(s):  
Cross Entropy ◽  
Reaction Coordinates ◽  
Entropy Minimization ◽  
Alanine Dipeptide

Multispectral image unsupervised segmentation using watershed transformation and cross-entropy minimization in different land use

2014 ◽  
Vol 51 (6) ◽  
pp. 613-629 ◽  
Author(s):  
Eduardo Freire Santana ◽  
Leonardo Vidal Batista ◽  
Richarde Marques da Silva ◽  
Celso Augusto Guimarães Santos
Keyword(s):  
Land Use ◽  
Multispectral Image ◽  
Cross Entropy ◽  
Unsupervised Segmentation ◽  
Watershed Transformation ◽  
Entropy Minimization

Trajectory Shaping of Projectile Through Cross-Entropy-Minimization-Based Search

2009 ◽  
Vol 32 (1) ◽  
pp. 300-304 ◽  
Author(s):  
Nicolas Léchevin ◽  
Franklin Wong ◽  
Camille Alain Rabbath
Keyword(s):  
Cross Entropy ◽  
Entropy Minimization

Potential Energy Surface Calculations of Alanine Dipeptide using BVWN Density Functional Approach and 6-311G Basis Set

2009 ◽  
Vol 1219 ◽  
Author(s):  
Jyoti Singh ◽  
Subhash Chandra Singh ◽  
Narsingh Bahadur Singh
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Density Functional ◽  
Basis Set ◽  
Reaction Coordinates ◽  
Conformational Properties ◽  
Energy Surfaces ◽  
Polypeptide Chains ◽  
Alanine Dipeptide

AbstractThis work is devoted to a study of the conformational properties of alanine dipeptide. We have studied potential energy surfaces of alanine dipeptide molecule using density functional theoretical approach with 6-311G basis set. For this purpose potential energies of this molecule are calculated as a function of Ramachandran angles φ and ψ, which are important factors for the characterizations of polypeptide chains. These degrees of freedoms φ and ψ are important for the characterization of protein folding systems. Stable conformations, energy barriers and reaction coordinates of this important dipeptide molecule are calculated. Energy required for the transition of one conformation into other are also discussed.

Properties of cross-entropy minimization

1981 ◽  
Vol 27 (4) ◽  
pp. 472-482 ◽  
Author(s):  
J. Shore ◽  
R. Johnson
Keyword(s):  
Cross Entropy ◽  
Entropy Minimization
Sign in / Sign up

Export Citation Format

Share Document