Taylor, Corey, Schönberger, Nora, Laníková, Alice, Patzschke, Michael, Drobot, Björn, Žídek, Lukáš, Lederer, Franziska (2021) Investigation of the structure and dynamics of gallium binding to high-affinity peptides elucidated by multi-scale simulation, quantum chemistry, NMR and ITC. Physical Chemistry Chemical Physics, 23 (14) 8618-8632 doi:10.1039/d1cp00356a

See Also

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	Taube, Franziska, Drobot, Björn, Rossberg, André, Foerstendorf, Harald, Acker, Margret, Patzschke, Michael, Trumm, Michael, Taut, Steffen, Stumpf, Thorsten (2019) Thermodynamic and Structural Studies on the Ln(III)/An(III) Malate Complexation. Inorganic Chemistry, 58 (1) 368-381 doi:10.1021/acs.inorgchem.8b02474
	Schüppel, Franziska, Roos, Matthias K., de Vivie-Riedle, Regina (2018) Ultrafast non-adiabatic dynamics of excited diphenylmethyl bromide elucidated by quantum dynamics and semi-classical on-the-fly dynamics. Physical Chemistry Chemical Physics, 20 (35). 22753-22761 doi:10.1039/c8cp03257b
	Mason, Marcos M., Dixon, David A. (2022) Electronic Structure Investigation of NO2 and NO Binding on Vanadium Oxides. The Journal of Physical Chemistry A, 126 (46) 8618-8632 doi:10.1021/acs.jpca.2c05340
	Sychrovský, Vladimír, Vacek, Jaroslav, Hobza, Pavel, Žídek, Lukáš, Sklenář, Vladimír, Cremer, Dieter (2002) Exploring the Structure of a DNA Hairpin with the Help of NMR Spin−Spin Coupling Constants:  An Experimental and Quantum Chemical Investigation. The Journal of Physical Chemistry B, 106 (39). 10242-10250 doi:10.1021/jp020673z
	Špačková, Nad'a, Trošanová, Zuzana, Šebesta, Filip, Jansen, Séverine, Burda, Jaroslav V., Srb, Pavel, Zachrdla, Milan, Žídek, Lukáš, Kozelka, Jiří (2018) Protein environment affects the water–tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants. Physical Chemistry Chemical Physics, 20 (18). 12664-12677 doi:10.1039/c7cp08623g
	Boelens, Peter, Lei, Zhe, Drobot, Björn, Rudolph, Martin, Li, Zichao, Franzreb, Matthias, Eckert, Kerstin, Lederer, Franziska (2021) High-Gradient Magnetic Separation of Compact Fluorescent Lamp Phosphors: Elucidation of the Removal Dynamics in a Rotary Permanent Magnet Separator. Minerals, 11 (10) 1116 doi:10.3390/min11101116
	Hu, Ming, Yang, Zhonghua (2021) Correction: Perspective on multi-scale simulation of thermal transport in solids and interfaces. Physical Chemistry Chemical Physics, 23 (9) 5680 doi:10.1039/d1cp90037d
	Hu, Ming, Yang, Zhonghua (2021) Perspective on multi-scale simulation of thermal transport in solids and interfaces. Physical Chemistry Chemical Physics, 23 (3) 1785-1801 doi:10.1039/d0cp03372c
	Sychrovský, Vladimír, Schneider, Bohdan, Hobza, Pavel, Žídek, Lukáš, Sklenář, Vladimír (2003) The effect of water on NMR spin–spin couplings in DNA: Improvement of calculated values by application of two solvent models. Physical Chemistry Chemical Physics, 5 (4). 734pp. doi:10.1039/b210553e
	Kawaguchi, Kentaro, Wang, Yang, Xu, Jingxiang, Ootani, Yusuke, Higuchi, Yuji, Ozawa, Nobuki, Kubo, Momoji (2021) Cooperative roles of chemical reactions and mechanical friction in chemical mechanical polishing of gallium nitride assisted by OH radicals: tight-binding quantum chemical molecular dynamics simulations. Physical Chemistry Chemical Physics, 23 (7) 4075-4084 doi:10.1039/d0cp05826b