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

21

Journal Article

Unifying view of mechanical and functional hotspots across class A GPCRs

Ponzoni, Luca
2017

PLoS Computational Biology, 13 (2017) 2, S. e1005381 -

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

22

Contribution to a book

Structural Modeling of Human Prion Protein's Point Mutations

Rossetti, Giulia
2017

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

23

Contribution to a book

Chapter 12. Molecular Modelling and Simulations Applied to Challenging Drug Discovery Targets

Martín-Santamaría, Sonsoles
2017

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

24

Journal Article

Molecular Dynamics Simulations of the [2Fe-2S] Cluster-Binding Domain of NEET Proteins Reveal Key Molecular Determinants That Induce Their Cluster Transfer/Release

Pesce, Luca
2017

The @journal of physical chemistry / B, 121 (2017) 47, S. 10648–10656

“...Computational Science and Mathematical Methods...”
Restricted Published on 2017-10-31. Available in OpenAccess from 2018-10-31. Restricted

25

Journal Article

The conserved macrodomains of the non-structural proteins of Chikungunya virus and other pathogenic positive strand RNA viruses function as mono-ADP-ribosylhydrolases

Eckei, Laura
2017

Scientific reports, 7 (2017) S. 41746 -

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

26

Journal Article

Copper(II) and the pathological H50Q α-synuclein mutant: Environment meets genetics

Villar-Piqué, Anna
2017

Communicative & integrative biology, 10 (2017) 1, S. e1270484 -

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

27

Journal Article

Sulfoximines as ATR inhibitors: Analogs of VE-821

Hendriks, Christine M. M.
2017

Bioorganic & medicinal chemistry letters, 27 (2017) 12, S. 2659 - 2662

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

28

Journal Article

Structural prediction of the interaction of the tumor suppressor p27$^{KIP1}$ with cyclin A/CDK2 identifies a novel catalytically relevant determinant

Li, Jinyu
2017

BMC bioinformatics, 18 (2017) 1, S. 15

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

29

Contribution to a conference proceedings

Structural Predictions of Intrinsically Disordered Proteins with Computational Methods

Abad, E.
2016

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

30

Journal Article

Conformational effects in protein electrospray-ionization mass spectrometry

Li, Jinyu
2016

Mass spectrometry reviews, 35 (2016) 1, S. 111 - 122

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

31

Journal Article

Conformational ensemble of human α-synuclein physiological form predicted by molecular simulations

Rossetti, Giulia
2016

Physical chemistry, chemical physics, 18 (2016) 8, S. 5702 - 5706

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

32

Journal Article

Carnosine and Homocarnosine Degradation Mechanisms by the Human Carnosinase Enzyme CN1: Insights from Multiscale Simulations

Pavlin, Matic
2016

Biochemistry, 55 (2016) 19, S. 2772 - 2784

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

33

Journal Article

Environmental and genetic factors support the dissociation between α-synuclein aggregation and toxicity

Villar-Piqué, Anna
2016

Proceedings of the National Academy of Sciences of the United States of America, 113 (2016) 42, S. E6506 - E6515

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

34

Journal Article

Intramolecular hydrophobic interactions are critical mediators of STAT5 dimerization

Fahrenkamp, Dirk
2016

Scientific reports, 6 (2016) S. 35454 -

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

35

Journal Article

Computational metallomics of the anticancer drug cisplatin

Calandrini, Vania
2015

Journal of inorganic biochemistry, 153 (2015) S. 231 - 238

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

36

Journal Article

Cation Selectivity in Biological Cation Channels Using Experimental Structural Information and Statistical Mechanical Simulation

Finnerty, Justin John
2015

PLoS one, 10 (2015) 10, S. e0138679 -

“...Computational Science and Mathematical Methods...”
Get full text OpenAccess OpenAccess

37

Journal Article

Rare FLT3 deletion mutants may provide additional treatment options to patients with AML: an approach to individualized medicine

Chatain, N.
2015

Leukemia, 29 (2015) 12, S. 2434 - 2438

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

38

Journal Article

Insight into the Mechanism of Intramolecular Inhibition of the Catalytic Activity of Sirtuin 2 (SIRT2)

Li, Jinyu
2015

PLoS one, 10 (2015) 9, S. e0139095 -

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

39

Journal Article

The structural impact of DNA mismatches

Rossetti, G.
2015

Nucleic acids symposium series, 43 (2015) 8, S. 4309 - 4321

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

40

Journal Article

Molecular View of Ligands Specificity for CAG Repeats in Anti-Huntington Therapy

Bochicchio, Anna
2015

Journal of chemical theory and computation, 11 (2015) 10, S. 4911 - 4922

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

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