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

21

AMBER-DYES in AMBER: Implementation of fluorophore and linker parameters into AmberTools

Schepers, Bastian
2020

The Journal of Chemical Physics The journal of chemical physics, 152 152 (2020 2020) 22 22, S. 221103 221103

“...Computational Science and Mathematical Methods...”
Published on 2020-06-12. Available in OpenAccess from 2021-06-12. Published on 2020-06-12. Available in OpenAccess from 2021-06-12. Published on 2020-06-12. Available in OpenAccess from 2021-06-12. Published on 2020-06-12. Available in OpenAccess from 2021-06-12.

22

Journal Article

Mechanism of fully-reversible, pH-sensitive inhibition of human glutamine synthetase by tyrosine nitration

Frieg, Benedikt
2020

Journal of chemical theory and computation, 16 (2020) 7, S. 4694–4705

“...Computational Science and Mathematical Methods...”
Get full text Published on 2020-06-17. Available in OpenAccess from 2021-06-17. Published on 2020-06-17. Available in OpenAccess from 2021-06-17. Get full text

23

Journal Article

The Puzzle of Metabolite Exchange and Identification of Putative Octotrico Peptide Repeat Expression Regulators in the Nascent Photosynthetic Organelles of Paulinella chromatophora

Oberleitner, Linda
2020

Frontiers in microbiology, 11 (2020) S. 607182

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

24

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

25

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

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

26

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...”

27

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.

28

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

29

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 -

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

30

Journal Article

C-terminal Modulators of Heat Shock Protein of 90 kDa (HSP90): State of Development and Modes of Action

Bickel, David
2019

Bioorganic & medicinal chemistry, 27 (2019) 21, S. 115080

“...Computational Science and Mathematical Methods...”
Published on 2019-08-26. Available in OpenAccess from 2021-08-26. Published on 2019-08-26. Available in OpenAccess from 2021-08-26.

31

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

“...Computational Science and Mathematical Methods...”
Published on 2019-08-26. Available in OpenAccess from 2021-08-26. Published on 2019-08-26. Available in OpenAccess from 2021-08-26.

32

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

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

33

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

34

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

35

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

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

36

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

37

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.