JuLib | Articles & more

1

Molecular Dynamics Simulations of the [2Fe-2S] Cluster-Binding Domain of NEET Proteins Reveal Key Molecular Determinants That Induce Their Cluster Transfer/Release

Pesce, Luca
2017

The @journal of physical chemistry / B, 121 (2017) 47, S. 10648–10656

Restricted Published on 2017-10-31. Available in OpenAccess from 2018-10-31. Restricted

2

Journal Article

Hypomorphic mutations in POLR3A are a frequent cause of sporadic and recessive spastic ataxia.

Minnerop, Martina
2017

Brain, 140 (2017) 6, S. 1561 - 1578

3

Contribution to a book

Chapter 12. Molecular Modelling and Simulations Applied to Challenging Drug Discovery Targets

Martín-Santamaría, Sonsoles
2017

4

Journal Article

Novel xanthone-polyamine conjugates as catalytic inhibitors of human topoisomerase IIα

Minniti, Elirosa
2017

Bioorganic & medicinal chemistry letters, 27 (2017) 20, S. 4687 - 4693

5

Journal Article

Recent advances in dynamic docking for drug discovery

De Vivo, Marco
2017

Wiley interdisciplinary reviews / Computational Molecular Science, 7 (2017) 6, S. e1320 -

6

Journal Article

Allosteric Communication Networks in Proteins Revealed through Pocket Crosstalk Analysis

La Sala, Giuseppina
2017

ACS central science, 3 (2017) 9, S. 949 - 960

OpenAccess OpenAccess

7

Journal Article

The conserved macrodomains of the non-structural proteins of Chikungunya virus and other pathogenic positive strand RNA viruses function as mono-ADP-ribosylhydrolases

Eckei, Laura
2017

Scientific reports, 7 (2017) S. 41746 -

OpenAccess OpenAccess

8

Journal Article

Copper(II) and the pathological H50Q α-synuclein mutant: Environment meets genetics

Villar-Piqué, Anna
2017

Communicative & integrative biology, 10 (2017) 1, S. e1270484 -

OpenAccess OpenAccess

9

Journal Article

Sulfoximines as ATR inhibitors: Analogs of VE-821

Hendriks, Christine M. M.
2017

Bioorganic & medicinal chemistry letters, 27 (2017) 12, S. 2659 - 2662

10

Journal Article

Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition

Riccardi, Laura
2017

Chem, 3 (2017) 1, S. 92 - 109

OpenAccess OpenAccess

11

Journal Article

Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations

Casasnovas, Rodrigo
2017

Journal of the American Chemical Society, 139 (2017) 13, S. 4780 - 4788

12

Journal Article

DNA like-charge attraction and overcharging by divalent counterions in the presence of divalent co-ions

Nguyen, Viet Duc
2017

Journal of biological physics, 13 (2017) 2, S. 185-195

13

Journal Article

Proton Dynamics in Protein Mass Spectrometry

Li, Jinyu
2017

The @journal of physical chemistry letters, 8 (2017) 6, S. 1105 - 1112

14

Journal Article

Multi-scale simulations of membrane proteins: The case of bitter taste receptors

Suku, Eda
2017

Journal of science, 2 (2017) 1, S. 15 - 21

OpenAccess OpenAccess

15

Journal Article

Meshing molecular surfaces based on analytical implicit representation

Quan, Chaoyu
2017

Journal of molecular graphics and modelling, 71 (2017) S. 200 - 210

16

Journal Article

Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations

Aviat, Félix
2017

Journal of chemical theory and computation, 13 (2017) 1, S. 180 - 190

OpenAccess OpenAccess

17

Journal Article

Lid domain plasticity and lipid flexibility modulate enzyme specificity in human monoacylglycerol lipase

Riccardi, Laura
2017

Biochimica et biophysica acta / Molecular and cell biology of lipids, 1862 (2017) 5, S. 441 - 451

18

Journal Article

A covalent PIN1 inhibitor selectively targets cancer cells by a dual mechanism of action

Campaner, Elena
2017

Nature Communications, 8 (2017) S. 15772 -

OpenAccess OpenAccess

19

Journal Article

Origin of proton affinity to membrane/water interfaces

Weichselbaum, Ewald
2017

Scientific reports, 7 (2017) 1, S. 4553

OpenAccess OpenAccess

20

Journal Article

Structural prediction of the interaction of the tumor suppressor p27$^{KIP1}$ with cyclin A/CDK2 identifies a novel catalytically relevant determinant

Li, Jinyu
2017

BMC bioinformatics, 18 (2017) 1, S. 15

OpenAccess OpenAccess

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