JuLib | Articles & more

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

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 -

OpenAccess OpenAccess

3

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 -

4

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 -

5

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

6

Journal Article

Platination of the copper transporter ATP7A involved in anticancer drug resistance

Calandrini, Vania
2014

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

7

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

8

Journal Article

Localizing the Charged Side Chains of Ion Channels within the Crowded Charge Models

Finnerty, Justin J.
2013

Journal of chemical theory and computation, 9 (2013) 1, S. 766 - 773

9

Journal Article

RNA/Peptide Binding Driven by Electrostatics—Insight from Bidirectional Pulling Simulations

Do, Trang N.
2013

Journal of chemical theory and computation, 9 (2013) 3, S. 1720 - 1730

10

Contribution to a book

Molecular Simulations of NGF Protein

Roberts, Gordon C. K.
2013

2013

11

Journal Article

Conformational Fluctuations of UreG, an Intrinsically Disordered Enzyme

Musiani, Francesco
2013

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

12

Journal Article

Coarse-Grained/Molecular Mechanics of the TAS2R38 Bitter Taste Receptor: Experimentally-Validated Detailed Structural Prediction of Agonist Binding

Marchiori, Alessandro
2013

PLoS one, 8 (2013) 5, S. e64675 -

OpenAccess OpenAccess

13

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

14

Journal Article

GOMoDo: A GPCRs Online Modeling and Docking Webserver

Sandal, Massimo
2013

PLoS one, 8 (2013) 9, S. e74092 -

OpenAccess OpenAccess

15

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

16

Review
Journal Article

Structure/Function Relationships of Phospholipases C Beta

Sandal, Massimo
2013

Current protein & peptide science, 14 (2013) 8, S. 650 - 657

17

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

18

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

19

Journal Article

Publisher's Note: “Molecular recognition of DNA by ligands: Roughness and complexity of the free energy profile” [J. Chem. Phys. 139, 145102 (2013)]

Zheng, Wenwei
2013

The @journal of chemical physics, 139 (2013) 22, S. 229901 -

OpenAccess OpenAccess

20

Journal Article

Molecular recognition of DNA by ligands: Roughness and complexity of the free energy profile

Zheng, Wenwei
2013

The @journal of chemical physics, 139 (2013) 14, S. 145102 -

OpenAccess OpenAccess

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