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1

Structural Biology of Cisplatin Complexes with Cellular Targets: The Adduct with Human Copper Chaperone Atox1 in Aqueous Solution

Calandrini, Vania
2014

Chemistry - a European journal, 20 (2014) 37, S. 11719 - 11725

2

Journal Article

Platination of the copper transporter ATP7A involved in anticancer drug resistance

Calandrini, Vania
2014

Dalton transactions, 43 (2014) 31, S. 12085 -

3

Journal Article

Hydration of chloride anions in the NanC Porin from Escherichia coli: A comparative study by QM/MM and MD simulations

Calandrini, V.
2014

The @journal of chemical physics, 141 (2014) 22, S. 22D521 -

OpenAccess OpenAccess

4

Journal Article

Role of the Membrane Dipole Potential for Proton Transport in Gramicidin A Embedded in a DMPC Bilayer

Dreyer, Jens
2013

Journal of chemical theory and computation, 9 (2013) 8, S. 3826 - 3831

5

Journal Article

Ion Permeation in the NanC Porin from Escherichia coli: Free Energy Calculations along Pathways Identified by Coarse-Grain Simulations

Dreyer, Jens
2013

The @journal of physical chemistry / B, 117 (2013) 43, S. 13534 - 13542

6

Journal Article

Structural prediction of a rhodamine-based biosensor and comparison with biophysical data

Gonçalves, Marcos Brown
2013

Physical chemistry, chemical physics, 15 (2013) 6, S. 2177 - 2183

7

Journal Article

Conformational Fluctuations of UreG, an Intrinsically Disordered Enzyme

Musiani, Francesco
2013

Biochemistry, 52 (2013) 17, S. 2949 - 2954

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Review
Journal Article

Theoretical optical spectroscopy of complex systems

Conte, A. Mosca
2013

Journal of electron spectroscopy and related phenomena, 189 S (2013) S. 46 - 55

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Contribution to a conference proceedings

Hybrid Car-Parrinello Molecular Dynamics / Molecular Mechanics Simulations: A Powerful Tool for the Investigation of Biological Systems

Ippoliti, Emiliano
2012

10

Journal Article

Structural Determinants of Cisplatin and Transplatin Binding to the Met-Rich Motif of Ctr1: A Computational Spectroscopy Approach

Nguyen, Trung Hai
2012

Journal of chemical theory and computation, 8 (2012) 8, S. 2912 - 2920

11

Journal Article

Counterion Redistribution upon Binding of a Tat-Protein Mimic to HIV-1 TAR RNA

Do, Trang N.
2012

Journal of chemical theory and computation, 8 (2012) 2, S. 688 - 694

12

Journal Article

Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion

Zhang, C.
2012

Proceedings of the National Academy of Sciences of the United States of America, 109 (2012) 25, S. 9744 - 9749

13

Journal Article

Bioinorganic Chemistry of Parkinson’s Disease: Structural Determinants for the Copper-Mediated Amyloid Formation of Alpha-Synuclein

Binolfi, Andrés
2010

Inorganic chemistry, 49 (2010) 22, S. 10668 - 10679

14

Journal Article

Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car−Parrinello and TDDFT/CASPT2 Calculations

Lupieri, Paola
2010

Journal of chemical theory and computation, 6 (2010) 11, S. 3403 - 3409

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