JuLib | Articles & more - {"Computational Science and Mathematical Methods"}

1

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

“...Computational Science and Mathematical Methods...”
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

2

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

“...Computational Science and Mathematical Methods...”
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

3

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

“...Computational Science and Mathematical Methods...”
OpenAccess OpenAccess

4

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

“...Computational Science and Mathematical Methods...”
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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

“...Computational Science and Mathematical Methods...”
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 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

“...Computational Science and Mathematical Methods...”
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

7

Journal Article

Phosphorylated tyrosine 93 of hepatitis C virus nonstructural protein 5A is essential for interaction with host c-Src and efficient viral replication

Klinker, Stefan
2019

The journal of biological chemistry, 294 (2019) S. 7388-7402

“...Computational Science and Mathematical Methods...”

8

Journal Article

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

Kater, Lukas
2019

EMBO reports, 20 (2019) S. e48191

“...Computational Science and Mathematical Methods...”
OpenAccess OpenAccess

9

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

“...Computational Science and Mathematical Methods...”
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10

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

“...Computational Science and Mathematical Methods...”

11

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

“...Computational Science and Mathematical Methods...”

12

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

“...Computational Science and Mathematical Methods...”
Published on 2019-10-15. Available in OpenAccess from 2020-10-15. Published on 2019-10-15. Available in OpenAccess from 2020-10-15.

13

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

“...Computational Science and Mathematical Methods...”
OpenAccess

14

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

“...Computational Science and Mathematical Methods...”
OpenAccess OpenAccess

15

Journal Article

Synthesis of peptoid-based class I selective histone deacetylase inhibitors with chemosensitizing properties

Krieger, Viktoria
2019

Journal of medicinal chemistry, 62 (2019) 24, S. 11260-11279

“...Computational Science and Mathematical Methods...”

16

Journal Article

PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein–Lipid-Bilayer System Building

Schott-Verdugo, Stephan
2019

Journal of chemical information and modeling, 59 (2019) 6, S. 2522-2528

“...Computational Science and Mathematical Methods...”
Restricted Published on 2019-05-23. Available in OpenAccess from 2020-05-23. Published on 2019-05-23. Available in OpenAccess from 2020-05-23. Restricted

17

Journal Article

Novel Fluorescent Cyclic Nucleotide Derivatives to Study CNG and HCN Channel Function

Otte, Maik
2019

Biophysical journal, 116 (2019) 12, S. 2411-2422

“...Computational Science and Mathematical Methods...”
Published on 2019-05-10. Available in OpenAccess from 2020-05-10. Published on 2019-05-10. Available in OpenAccess from 2020-05-10.

18

Journal Article

Calcium-promoted interaction between the C2-domain protein EHB1 and metal transporter IRT1 inhibits Arabidopsis iron acquisition

Khan, Imran
2019

Plant physiology, 180 (2019) 3, S. 1564-1581

“...Computational Science and Mathematical Methods...”

19

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

“...Computational Science and Mathematical Methods...”
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

20

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

“...Computational Science and Mathematical Methods...”
OpenAccess OpenAccess

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