JuLib | Articles & more

1

Contribution to a book

Fluoride Transport and Inhibition Across CLC Transporters

Fahlke, Christoph
2024

2

Journal Article

Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease

Albani, Simone
2024

Journal of chemical information and modeling, 64 (2024) 3, S. 892–904

OpenAccess

3

Preprint

Transport mechanism of DgoT, a bacterial homolog of SLC17 organic anion transporters

Dmitrieva, Nataliia
2024

bioRxiv beta (2024)

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4

Preprint

Calcium-driven In Silico Inactivation of a Human Olfactory Receptor

Pirona, Lorenza
2024

bioRxiv beta (2024)

OpenAccess

5

Journal Article

Transport mechanisms of DgoT—a bacterial homolog of organic anion transporters

Dmitrieva, Nataliia
2024

Biophysical journal, 123 (2024) 3, S. 116a -

6

Journal Article

Kinetic and structural details of urease inactivation by thiuram disulphides

Mazzei, Luca
2024

Journal of inorganic biochemistry, 250 (2024) S. 112398 -

7

Journal Article

Multiscale molecular simulations to investigate adenylyl cyclase‐based signaling in the brain

van Keulen, Siri C.
2023

Wiley interdisciplinary reviews / Computational Molecular Science, 13 (2023) 1, S. e1623

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8

Journal Article

Graph-Based Analyses of Dynamic Water-Mediated Hydrogen-Bond Networks in Phosphatidylserine: Cholesterol Membranes

Jain, Honey
2023

Biomolecules, 13 (2023) 8, S. 1238 -

OpenAccess

9

Journal Article

Protons taken hostage: Dynamic H-bond networks of the pH-sensing GPR68

Kapur, Bhav
2023

Computational and structural biotechnology journal, 21 (2023) S. 4370 - 4384

OpenAccess

10

Journal Article

Structures of channelrhodopsin paralogs in peptidiscs explain their contrasting K+ and Na+ selectivities

Morizumi, Takefumi
2023

Nature Communications, 14 (2023) 1, S. 4365

OpenAccess

11

Journal Article

Modelling eNvironment for Isoforms (MoNvIso): A general platform to predict structural determinants of protein isoforms in genetic diseases

Oliva, Francesco
2023

Frontiers in Chemistry, 10 (2023) S. 1059593

OpenAccess

12

Journal Article

pyGOMoDo: GPCRs modeling and docking with python

Ribeiro, Rui P
2023

Bioinformatics, 39 (2023) 5, S. btad294

OpenAccess

13

Journal Article

Protons at bio-interfaces

Bondar, Ana-Nicoleta
2023

Biochimica et biophysica acta / Biomembranes, 1865 (2023) 4, S. 184139 -

OpenAccess OpenAccess

14

Preprint

Machine Learning-based Modeling of Olfactory Receptors in their Inactive State: Human OR51E2 as a Case Study

Alfonso-Prieto, Mercedes
2023

bioRxiv beta (2023)

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15

Journal Article

Exploring the transport cycle of DgoT, a bacterial homolog of human vesicular glutamate transporters

Dmitrieva, Nataliia
2023

Biophysical journal, 122 (2023) 3, S. 231a -

OpenAccess

16

Journal Article

A Proteorhodopsin-Related Photosensor Expands the Repertoire of Structural Motifs Employed by Sensory Rhodopsins

Saliminasab, Maryam
2023

The journal of physical chemistry / B, 127 (2023) 37, S. 7872 - 7886

17

Journal Article

Fentanyl and the Fluorinated Fentanyl Derivative NFEPP Elicit Distinct Hydrogen-Bond Dynamics of the Opioid Receptor

Lešnik, Samo
2023

Journal of chemical information and modeling, 63 (2023) 15, S. 4732 - 4748

OpenAccess

18

Journal Article

Modeling the Orthosteric Binding Site of the G Protein-Coupled Odorant Receptor OR5K1

Nicoli, Alessandro
2023

Journal of chemical information and modeling, 63 (2023) 7, S. 2014 - 2029

OpenAccess

19

Journal Article

EphrinA5 regulates cell motility by modulating Snhg15/DNA triplex-dependent targeting of DNMT1 to the Ncam1 promoter

Yildiz, Can Bora
2023

Epigenetics & chromatin, 16 (2023) 1, S. 42

OpenAccess

20

Journal Article

Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations

Raghavan, Bharath
2023

Journal of chemical information and modeling, 63 (2023) 12, S. 3647 - 3658

OpenAccess

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