Concepedia

Molecular Modeling of Enantioseparation of Phenylazetidin Derivatives by Cyclodextrins

Zsolt Bikádi, Gábor Fodor, I. Hazai, Péter Hári, Julianna Szemán, Lajos Szente, Ferenc Fülöp, Eszter Hazai

Chromatographia · 2010 · 22 citations · 29 references

DOI

Concepts

References

29

GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations

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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations

, , +17

<i>PRODRG</i>: a tool for high-throughput crystallography of protein–ligand complexes

Alexander W. Schüttelkopf, Daan M. F. van Aalten · Acta Crystallographica Section D Biological Crystallography · 2004 · 4.8K citations · Full text

, , +16

Minimization by Random Search Techniques

Francisco J. Solís, Roger J.‐B. Wets · Mathematics of Operations Research · 1981 · 1.7K citations

, , +7

Chiral Recognition Mechanisms

Alain Berthod · Analytical Chemistry · 2006 · 346 citations · Full text

, , +6