scholarly journals IDSS: deformation invariant signatures for molecular shape comparison

2009 ◽  
Vol 10 (1) ◽  
Author(s):  
Yu-Shen Liu ◽  
Yi Fang ◽  
Karthik Ramani
Keyword(s):  
Molecular Shape ◽  
Shape Comparison ◽  
Invariant Signatures

scholarly journals Alignment-Free Molecular Shape Comparison Using Spectral Geometry: The Framework

2018 ◽  
Vol 59 (1) ◽  
pp. 98-116 ◽  
Author(s):  
Matthew P. Seddon ◽  
David A. Cosgrove ◽  
Martin J. Packer ◽  
Valerie J. Gillet
Keyword(s):  
Molecular Shape ◽  
Spectral Geometry ◽  
Shape Comparison ◽  
Alignment Free

scholarly journals 3DMolNavi: A web-based retrieval and navigation tool for flexible molecular shape comparison

2012 ◽  
Vol 13 (1) ◽  
Author(s):  
Yu-Shen Liu ◽  
Meng Wang ◽  
Jean-Claude Paul ◽  
Karthik Ramani
Keyword(s):  
Molecular Shape ◽  
Web Based ◽  
Shape Comparison ◽  
Navigation Tool

scholarly journals Using diffusion distances for flexible molecular shape comparison

2010 ◽  
Vol 11 (1) ◽  
Author(s):  
Yu-Shen Liu ◽  
Qi Li ◽  
Guo-Qin Zheng ◽  
Karthik Ramani ◽  
William Benjamin
Keyword(s):  
Molecular Shape ◽  
Shape Comparison

Molecular Shape Comparison of Sandalwood Odor Molecules. Conformational Calculations on Sandalwood Odor III

1990 ◽  
Vol 2 (5) ◽  
pp. 221-230 ◽  
Author(s):  
Armin Becker ◽  
Gerhard Buchbauer ◽  
Susanne Winiwarter ◽  
Peter Wolschann
Keyword(s):  
Molecular Shape ◽  
Shape Comparison ◽  
Conformational Calculations

Enhancing Molecular Shape Comparison by Weighted Gaussian Functions

2013 ◽  
Vol 53 (8) ◽  
pp. 1967-1978 ◽  
Author(s):  
Xin Yan ◽  
Jiabo Li ◽  
Zhihong Liu ◽  
Minghao Zheng ◽  
Hu Ge ◽  
...  
Keyword(s):  
Molecular Shape ◽  
Gaussian Functions ◽  
Shape Comparison
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