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1

Journal Article

Evidence for a Transient Additional Ligand Binding Site in the TAS2R46 Bitter Taste Receptor

Sandal, Massimo
2015

Journal of chemical theory and computation, 11 (2015) 9, S. 4439 - 4449

2

Journal Article

Structure and Dynamics of Oligonucleotides in the Gas Phase

Arcella, Annalisa
2015

Angewandte Chemie / International edition, 54 (2015) 2, S. 467–471

3

Journal Article

Molecular Basis for Structural Heterogeneity of an Intrinsically Disordered Protein Bound to a Partner by Combined ESI-IM-MS and Modeling

D’Urzo, Annalisa
2015

Journal of the American Society for Mass Spectrometry, 26 (2015) 3, S. 472 - 481

4

Journal Article

Structural predictions of neurobiologically relevant G-protein coupled receptors and intrinsically disordered proteins

Rossetti, Giulia
2015

Archives of biochemistry and biophysics, 582 (2015) S. 91–100

5

Journal Article

Rare FLT3 deletion mutants may provide additional treatment options to patients with AML: an approach to individualized medicine

Chatain, N.
2015

Leukemia, 29 (2015) 12, S. 2434 - 2438

6

Journal Article

Insight into the Mechanism of Intramolecular Inhibition of the Catalytic Activity of Sirtuin 2 (SIRT2)

Li, Jinyu
2015

PLoS one, 10 (2015) 9, S. e0139095 -

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7

Journal Article

The structural impact of DNA mismatches

Rossetti, G.
2015

Nucleic acids symposium series, 43 (2015) 8, S. 4309 - 4321

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8

Journal Article

Computational metallomics of the anticancer drug cisplatin

Calandrini, Vania
2015

Journal of inorganic biochemistry, 153 (2015) S. 231 - 238

9

Journal Article

Adaptation of Extremophilic Proteins with Temperature and Pressure: Evidence from Initiation Factor 6

Calligari, Paolo A.
2015

The @journal of physical chemistry / B, 119 (2015) 25, S. 7860 - 7873

10

Journal Article

Binding of the Antagonist Caffeine to the Human Adenosine Receptor hA2AR in Nearly Physiological Conditions

Cao, Ruyin
2015

PLoS one, 10 (2015) 5, S. e0126833

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11

Journal Article

Copper Binding to the N-Terminally Acetylated, Naturally Occurring Form of Alpha-Synuclein Induces Local Helical Folding

Miotto, Marco C.
2015

Journal of the American Chemical Society, 137 (2015) 20, S. 6444 - 6447

12

Journal Article

Molecular View of Ligands Specificity for CAG Repeats in Anti-Huntington Therapy

Bochicchio, Anna
2015

Journal of chemical theory and computation, 11 (2015) 10, S. 4911 - 4922

13

Journal Article

Cation Selectivity in Biological Cation Channels Using Experimental Structural Information and Statistical Mechanical Simulation

Finnerty, Justin John
2015

PLoS one, 10 (2015) 10, S. e0138679 -

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14

Journal Article

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

15

Journal Article

Mesencephalic dopaminergic neurons express a repertoire of olfactory receptors and respond to odorant-like molecules

Grison, Alice
2014

BMC genomics, 15 (2014) 1, S. 729 -

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16

Journal Article

The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole

Kolář, Michal
2014

Physical chemistry, chemical physics, 16 (2014) 21, S. 9987 -

17

Journal Article

Statistical analysis of σ-holes: a novel complementary view on halogen bonding

Kolář, Michal H.
2014

Physical chemistry, chemical physics, 16 (2014) 36, S. 19111 -

18

Journal Article

Trapping acrylamide by a Michael addition: A computational study of the reaction between acrylamide and niacin

Papamokos, George
2014

International journal of quantum chemistry, 114 (2014) 9, S. 553 - 559

19

Journal Article

Platination of the copper transporter ATP7A involved in anticancer drug resistance

Calandrini, Vania
2014

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

20

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 -

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