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

Molecular shape comparison of angiotensin II receptor antagonists

1993 ◽  
Vol 36 (9) ◽  
pp. 1230-1238 ◽  
Author(s):  
Brian B. Masek ◽  
Arshad Merchant ◽  
James B. Matthew
Keyword(s):  
Angiotensin Ii ◽  
Molecular Shape ◽  
Angiotensin Ii Receptor ◽  
Angiotensin Ii Receptor Antagonists ◽  
Receptor Antagonists ◽  
Shape Comparison

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

Incorporating Molecular Shape into the Alignment-free GRid-INdependent Descriptors

2004 ◽  
Vol 47 (11) ◽  
pp. 2805-2815 ◽  
Author(s):  
Fabien Fontaine ◽  
Manuel Pastor ◽  
Ferran Sanz
Keyword(s):  
Molecular Shape ◽  
Alignment Free

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

A rapid method for molecular shape comparison of medium-sized molecules. Conformational calculations on sandalwood odor, IV

1992 ◽  
Vol 123 (5) ◽  
pp. 405-416 ◽  
Author(s):  
Armin Becker ◽  
Gerhard Buchbauer ◽  
Susanne Winiwarter ◽  
Peter Wolschann
Keyword(s):  
Rapid Method ◽  
Molecular Shape ◽  
Shape Comparison ◽  
Conformational Calculations

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
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