JuLib | Articles & more - {"Jülich Supercomputing Center; JSC"}

1

The Membrane-Integrated Steric Chaperone Lif Facilitates Active Site Opening of Pseudomonas aeruginosa Lipase A

Verma, Neha
2020

Journal of computational chemistry, 4 (2020) 6, S. 500-512

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Restricted Published on 2019-10-16. Available in OpenAccess from 2020-10-16. Published on 2019-10-16. Available in OpenAccess from 2020-10-16. Restricted

2

Journal Article

Dimerization energetics of the G‐protein coupled bile acid receptor TGR5 from all‐atom simulations

Wäschenbach, Lucas
2020

Journal of computational chemistry, 41 (2020) 9, S. 874-884

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Restricted Published on 2019-12-27. Available in OpenAccess from 2020-12-27. Published on 2019-12-27. Available in OpenAccess from 2020-12-27. Restricted

3

Journal Article

Systematically scrutinizing the impact of substitution sites on thermostability and detergent tolerance for Bacillus subtilis lipase A

Nutschel, Christina
2020

Journal of chemical information and modeling, 60 (2020) 3, S. 1568-1584

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2020-01-06. Available in OpenAccess from 2021-01-06. Restricted Restricted Published on 2020-01-06. Available in OpenAccess from 2021-01-06. Restricted Restricted Restricted Restricted

4

Journal Article

TopModel: Template-based protein structure prediction at low sequence identity using top-down consensus and deep neural networks

Mulnaes, Daniel
2020

Journal of chemical theory and computation, 16 (2020) 3, S. 1953-1967

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2020-01-22. Available in OpenAccess from 2021-01-22. Restricted Restricted Published on 2020-01-22. Available in OpenAccess from 2021-01-22. Restricted Restricted Restricted Restricted

5

Contribution to a book
Contribution to a conference proceedings

Simulating Thioflavin T and Congo Red Binding to the Fibril Structure of Amyloid-$ß$(1-42)

Frieg, Benedikt
2020

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess OpenAccess

6

Journal Article

Structural and dynamic insights revealing how lipase binding domain MD1 of Pseudomonas aeruginosa foldase affects lipase activation

Viegas, Aldino
2020

Scientific reports, 10 (2020) 1, S. 3578

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text Get full text Restricted OpenAccess OpenAccess Restricted OpenAccess OpenAccess

7

Journal Article

FK506 resistance of Saccharomyces cerevisiae Pdr5 and Candida albicans Cdr1 involves mutations in the transmembrane domains and extracellular loops

Tanabe, Koichi
2019

Antimicrobial agents and chemotherapy, 63 (2019) 1, S. e01146-18

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2018-12-21. Available in OpenAccess from 2019-06-21.

8

Journal Article

Design, Synthesis and Biological Evaluation of β-Peptoid-Capped HDAC Inhibitors with Anti-Neuroblastoma and Anti-Glioblastoma Activity

Reßing, Nina
2019

MedChemComm, 10 (2019) 7, S. 1109-1115

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

9

Journal Article

Surprising Non-Additivity of Methyl-Groups in Drug-Kinase Interaction

Wienen-Schmidt, Barbara
2019

ACS chemical biology, 14 (2019) 12, S. 2585-2594

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

10

Journal Article

N 6 -modified cAMP derivatives that activate protein kinase A also act as full agonists of murine HCN2 channels

Leypold, Tim
2019

The journal of biological chemistry, 294 (2019) S. 17978-17987

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2019-10-15. Available in OpenAccess from 2020-10-15. Published on 2019-10-15. Available in OpenAccess from 2020-10-15.

11

Journal Article

Posttranslational modification of the NADP-malic enzyme involved in C4 photosynthesis fine-tunes the enzymatic activity during the day

Bovdilova, Anastasiia
2019

The plant cell, 31 (2019) 10, S. 2525-2539

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Restricted OpenAccess OpenAccess Restricted

12

Journal Article

Biallelic mutation of human SLC6A6 encoding the taurine transporter TAUT is linked to early retinal degeneration

Preising, Markus N.
2019

The FASEB journal, 33 (2019) 10, S. 11507–11527

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

13

Journal Article

Partially inserted nascent chain unzips the lateral gate of the Sec translocon

Kater, Lukas
2019

EMBO reports, 20 (2019) S. e48191

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess OpenAccess

14

Journal Article

Cosolvent-enhanced Sampling and Unbiased Identification of Cryptic Pockets Suitable for Structure-based Drug Design

Schmidt, Denis
2019

Journal of chemical theory and computation, 15 (2019) 5, S. 3331–3343

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Restricted Published on 2019-04-18. Available in OpenAccess from 2020-04-18. Published on 2019-04-18. Available in OpenAccess from 2020-04-18. Restricted

15

Journal Article

Novel 3,4-Dihydroisocoumarins Inhibit Human P-gp and BCRP in Multidrug Resistant Tumors and Demonstrate Substrate Inhibition of Yeast Pdr5

Sachs, Julia
2019

Frontiers in pharmacology, 10 (2019) S. 400

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess OpenAccess

16

Journal Article

JAK2 p.G571S in B-cell precursor acute lymphoblastic leukemia: a synergizing germline susceptibility

Lin, Minhui
2019

Leukemia, 33 (2019) S. 2331–2335

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
OpenAccess OpenAccess

17

Journal Article

Converging a Knowledge-Based Scoring Function: DrugScore2018

Dittrich, Jonas
2019

Journal of chemical information and modeling, 59 (2019) 1, S. 509–521

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Restricted Published on 2018-12-04. Available in OpenAccess from 2019-12-04. Restricted