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1

Journal Article

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
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

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
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3

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
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

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
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

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
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

6

Journal Article

The tetrahydroxanthone-dimer phomoxanthone A is a strong inducer of apoptosis in cisplatin-resistant solid cancer cells

Wang, Chenyin
2019

Bioorganic & medicinal chemistry, 27 (2019) 19, S. 115044

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

7

Journal Article

Fluorescent analogs of peptoid-based HDAC inhibitors: Synthesis, biological activity and cellular uptake kinetics

Raudszus, Rick
2019

Bioorganic & medicinal chemistry, 27 (2019) 19, S. 115039 -

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

8

Journal Article

Converging a Knowledge-Based Scoring Function: DrugScore2018

Dittrich, Jonas
2019

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
Restricted Published on 2018-12-04. Available in OpenAccess from 2019-12-04. Restricted

9

Journal Article

Co-culture of the fungus Fusarium tricinctum with Streptomyces lividans induces production of cryptic naphthoquinone dimers

Moussa, Mariam
2019

RSC Advances, 9 (2019) 3, S. 1491 - 1500

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
OpenAccess OpenAccess

10

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
Published on 2018-12-21. Available in OpenAccess from 2019-06-21.

11

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

12

Journal Article

Nutrient exchange in arbuscular mycorrhizal symbiosis from a thermodynamic point of view

Dreyer, Ingo
2019

The new phytologist, 222 (2019) 2, S. 1043-1053

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
OpenAccess

13

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
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

14

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
OpenAccess OpenAccess

15

Journal Article

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

Kater, Lukas
2019

EMBO reports, 20 (2019) S. e48191

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
OpenAccess OpenAccess

16

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
Restricted OpenAccess OpenAccess Restricted

17

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

18

Journal Article

Basal Histamine H4 Receptor Activation: Agonist Mimicry by the Diphenylalanine Motif

Wifling, David
2019

Chemistry - a European journal, 25 (2019) 64, S. 14613-14624

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

19

Journal Article

Small-molecule inhibitors of nisin resistance protein NSR from the human pathogen Streptococcus agalactiae

Porta, Nicola
2019

Bioorganic & medicinal chemistry, 27 (2019) 20, S. 115079

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”
Published on 2019-08-26. Available in OpenAccess from 2021-08-26. Published on 2019-08-26. Available in OpenAccess from 2021-08-26.

20

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

“...John von Neumann - Institut für Computing; NIC John von Neumann - Institut für Computing...”

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