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

41

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...”
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42

Conference Presentation

Statistical mechanical models for cation selectivity in biological channels

Finnerty, Justin
2015

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

43

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...”

44

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...”

45

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

46

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

47

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...”

48

Journal Article

Copper Binding to the N-Terminally Acetylated, Naturally Occurring Form of Alpha-Synuclein Induces Local Helical Folding

Miotto, Marco C.
2015

Journal of the American Chemical Society, 137 (2015) 20, S. 6444 - 6447

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

49

Contribution to a conference proceedings

Computer–aided design of ligands targeting RNA polyCAG expansion tracts in Huntington’s disease

Bochicchio, Anna
2014

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

50

Journal Article

Molecular Recognition of Platinated DNA from Chromosomal HMGB1

Nguyen, Trung Hai
2014

Journal of chemical theory and computation, 10 (2014) 8, S. 3578 - 3584

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

51

Journal Article

Molecular Dynamics Simulations Identify Time Scale of Conformational Changes Responsible for Conformational Selection in Molecular Recognition of HIV-1 Transactivation Responsive R...

Musiani, Francesco
2014

Journal of the American Chemical Society, 136 (2014) 44, S. 15631 - 15637

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

52

Journal Article

HIV-1 Integrase Binding to its Cellular Partners: A Perspective from Computational Biology

Quy, Vo
2014

Current pharmaceutical design, 20 (2014) 21, S. 3412 - 3421

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

53

Contribution to a book

Chemosensorial G-proteins-Coupled Receptors: A Perspective from Computational Methods

Musiani, Francesco
2014

2014

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

54

Journal Article

Developing predictive rules for coordination geometry from visible circular dichroism of Copper(II) and Nickel(II) ions in histidine and amide main-chain complexes

Stanyon, Helen F.
2014

The @FEBS journal, 281 (2014) 17, S. 3945 - 3954

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

55

Journal Article

Dominant-negative effects in prion diseases: insights from molecular dynamics simulations on mouse prion protein chimeras

Cong, Xiaojing
2013

Journal of biomolecular structure & dynamics: JBSD, 31 8, S. 829-840

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

56

Journal Article

Computational Studies on the Prion Protein

Rossetti, G.
2013

Current topics in medicinal chemistry, 13 (2013) 19, S. 2419 - 2431

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

57

Journal Article

Ligand Binding on Intrinsic Disordered Proteins: Focus on Human Alpha-Synuclein

Rossetti, Giulia
2013

Biophysical journal, 104 (2013) 2, S. 379a

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

58

Journal Article

A Molecular Dynamics Simulation-Based Interpretation of Nuclear Magnetic Resonance Multidimensional Heteronuclear Spectra of α-Synuclein·Dopamine Adducts

Dibenedetto, Domenica
2013

Biochemistry, 52 (2013) 38, S. 6672 - 6683

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

59

Book

From Computational Biophysics to Systems Biology (CBSB11) Celebrating Harold Scheragas 90th Birthday

Carloni, Paolo
2012

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

60

Journal Article

Local Fluctuations and Conformational Transitions in Proteins

Caliandro, Rocco
2012

Journal of chemical theory and computation, 8 (2012) 11, S. 4775 - 4785

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

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