Buscar
Mostrando ítems 1-10 de 11027
Conformational analysis of synthetic neolignans active against leishmaniasis, using the molecular mechanics method (MM2)
(John Wiley & Sons IncNew York, 1997)
Conformational analysis and the active conformation of N-2-phenylguanine derivatives
(Elsevier Science BvAmsterdamHolanda, 2000)
Framework for conformity assessment based on an analogy with the Uncertainty Principle of Quantum Mechanics (FCAUP)
(2018-09-01)
This paper aims to introduce an innovative framework, named FCAUP, for planning and implementing conformity assessment based on a conceptual analogy with Heisenberg's Uncertainty Principle of Quantum Mechanics. Conformity ...
A multilevel strategy for the exploration of the conformational flexibility of small molecules
(American Chemical Society, 2012-05)
Predicting the conformational preferences of flexible compounds is still a challenging problem with important implications in areas such as molecular recognition and drug design. In this work, we describe a multilevel ...
Conformational analysis: A new approach by means of chemometrics
(Wiley-Blackwell, 2002-01-30)
In conformational analysis, the systematic search method completely maps the space but suffers from the combinatorial explosion problem because the number of conformations increases exponentially with the number of free ...
Conformational analysis: A new approach by means of chemometrics
(Wiley-Blackwell, 2002-01-30)
In conformational analysis, the systematic search method completely maps the space but suffers from the combinatorial explosion problem because the number of conformations increases exponentially with the number of free ...
Partially relaxed ring closure conditions for geometrical algorithm to search the conformational space for minimum energy conformations
(Elsevier Science, 2001-02-28)
We have reported a systematic search method, GASCOS, for open chain compounds. An extension to cyclic structures was recently reported. In this paper, we propose a more complete range of tolerance for some of the bond ...