Recent Progress in Treating Protein–Ligand Interactions with Quantum-Mechanical Methods

By Yilmazer Nusret Duygu   Korth Martin  

International Journal of Molecular Sciences, Vol. 17, Iss. 5, 2016-05 ,pp. : 742-742

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Some aspects of scaling factor calculations for quantum-mechanical molecular force fields

By Panchenko Yu.   Bock Ch.   Maré G.  

Journal of Structural Chemistry, Vol. 46, Iss. 1, 2005-01 ,pp. : 49-58

Springer Publishing Company

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Stereochemistry of Complex Marine Natural Products by Quantum Mechanical Calculations of NMR Chemical Shifts: Solvent and Conformational Effects on Okadaic Acid

By Domínguez Humberto J.   Crespín Guillermo D.   Santiago-Benítez Adrián J.   Gavín José A.   Norte Manuel   Fernández José J.   Hernández Daranas Antonio  

Marine Drugs, Vol. 12, Iss. 1, 2014-01 ,pp. : 176-192

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Understanding the Adsorption of CuPc and ZnPc on Noble Metal Surfaces by Combining Quantum-Mechanical Modelling and Photoelectron Spectroscopy

By Huang Yu Li   Wruss Elisabeth   Egger David A.   Kera Satoshi   Ueno Nobuo   Saidi Wissam A.   Bucko Tomas   Wee Andrew T.S.   Zojer Egbert  

Molecules, Vol. 19, Iss. 3, 2014-03 ,pp. : 2969-2992

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Formation versus Hydrolysis of the Peptide Bond from a Quantum-mechanical Viewpoint: The Role of Mineral Surfaces and Implications for the Origin of Life

By Rimola Albert   Ugliengo Piero   Sodupe Mariona  

International Journal of Molecular Sciences, Vol. 10, Iss. 3, 2009-02 ,pp. : 746-760

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