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Disambiguation of "Merz, K. M."

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Assigning the Protonation States of the Key Aspartates in <img src="http://pubs.acs.org/images/gifchars/beta2.gif" border="0" align="middle">-Secretase Using QM/MM X-ray Structure Refinement

, , , , , and . J. Chem. Theory Comput., (June 2006)
DOI: 10.1021/ct0600060

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K M Heinroth

Marcus K M Tso

Otmar M K Klag

Hans Merz

Franz Merz

 

Other publications of authors with the same name

Assigning the Protonation States of the Key Aspartates in <img src="http://pubs.acs.org/images/gifchars/beta2.gif" border="0" align="middle">-Secretase Using QM/MM X-ray Structure Refinement, , , , , and . J. Chem. Theory Comput., (June 2006)Combined quantum mechanical/molecular mechanical methodologies applied to biomolecular systems, and . ACCOUNTS OF CHEMICAL RESEARCH, 32 (10): 904--911 (1999)DYNAMIC FORCE-FIELD MODELSMOLECULAR-DYNAMICS SIMULATIONS OF HUMAN CARBONIC-ANHYDRASE-II USING A QUANTUM-MECHANICAL MOLECULAR MECHANICAL COUPLED POTENTIAL, and . JOURNAL OF PHYSICAL CHEMISTRY, 99 (28): 11266--11275 (1995)Implementation and testing of a frozen density matrixDivide nd conquer algorithm, , and . JOURNAL OF PHYSICAL CHEMISTRY A, 103 (12): 1868--1875 (1999)A second generation force field for the simulation of proteins, nucleic acids, and organic molecules (vol 117, pg 5179, 1995), , , , , , , , , and . Journal of the American Chemical Society, 118 (9): 2309-2309 (1996)Large-scale validation of a quantum mechanics based scoring function: predicting the binding affinity and the binding mode of a diverse set of protein-ligand complexes, and . J. Med. Chem., (July 2005)Quantum mechanics in structure-based drug design, , and . Curr. Opin. Drug Discov. Devel., (May 2006)Binding of azide to human carbonic anhydrase .2. The role electrostatic complementarity plays in selecting the preferred resonance structure of azide, and . JOURNAL OF PHYSICAL CHEMISTRY, 100 (43): 17414--17420 (1996)Hybrid QM/MM and DIFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-beta-lactamase CcrA from Bacteroides fragilis, , and . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, (March 2005)Binding of bicarbonate to human carbonic anhydrase II: A continuum of binding states, and . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 119 (5): 863--871 (1997)