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1

Understanding and Controlling Food Protein Structure and Function in Foods: Perspectives from Experiments and Computer Simulations

Barroso da Silva, Fernando Luís
2020

Annual Review of Food Science and Technology Annual review of food science and technology, 11 11 (2020 2020) 1 1, S. 365-387 365-387

2

Journal Article

All-Atom Simulations Disclose How Cytochrome Reductase Reshapes the Substrate Access/Egress Routes of Its Partner CYP450s

Ritacco, Ida
2020

The journal of physical chemistry letters, 11 (2020) 4, S. 1189 - 1193

Published on 2020-01-27. Available in OpenAccess from 2021-01-27. Restricted

3

Journal Article

Characterization of cancer-associated IDH2 mutations that differ in tumorigenicity, chemosensitivity and 2-hydroxyglutarate production

Kotredes, Kevin P.
2019

OncoTarget, 10 (2019) 28, S. 2675-2692

OpenAccess OpenAccess

4

Journal Article

Exact value for the average optimal cost of the bipartite traveling salesman and two-factor problems in two dimensions

Capelli, Riccardo
2018

Physical Review E Physical review / E, 98 98 (2018 2018) 3 3, S. 030101 030101

OpenAccess OpenAccess OpenAccess OpenAccess

5

Journal Article

BPSL1626: Reverse and Structural Vaccinology Reveal a Novel Candidate for Vaccine Design Against Burkholderia pseudomallei

Capelli, Riccardo
2018

Antibodies, 7 (2018) 3, S. 26 -

OpenAccess OpenAccess

6

Journal Article

Novel Bacterial Topoisomerase Inhibitors Exploit Asp83 and the Intrinsic Flexibility of the DNA Gyrase Binding Site

Franco-Ulloa, Sebastian
2018

International journal of molecular sciences, 19 (2018) 2, S. 453 -

OpenAccess OpenAccess

7

Journal Article

Origin of proton affinity to membrane/water interfaces

Weichselbaum, Ewald
2017

Scientific reports, 7 (2017) 1, S. 4553

OpenAccess OpenAccess

8

Journal Article

Lid domain plasticity and lipid flexibility modulate enzyme specificity in human monoacylglycerol lipase

Riccardi, Laura
2017

Biochimica et biophysica acta / Molecular and cell biology of lipids, 1862 (2017) 5, S. 441 - 451

9

Journal Article

DNA like-charge attraction and overcharging by divalent counterions in the presence of divalent co-ions

Nguyen, Viet Duc
2017

Journal of biological physics, 13 (2017) 2, S. 185-195

10

Journal Article

Designing the Sniper: Improving Targeted Human Cytolytic Fusion Proteins for Anti-Cancer Therapy via Molecular Simulation

Bochicchio, Anna
2017

Biomedicines, 5 (2017) 1, S. 9

OpenAccess OpenAccess

11

Journal Article

Pharmacophore Identification and Scaffold Exploration to Discover Novel, Potent, and Chemically Stable Inhibitors of Acid Ceramidase in Melanoma Cells

Ortega, Jose Antonio
2017

Journal of medicinal chemistry, 60 (2017) 13, S. 5800 - 5815

OpenAccess OpenAccess

12

Journal Article

The Molecular Basis for Dual Fatty Acid Amide Hydrolase (FAAH)/Cyclooxygenase (COX) Inhibition

Palermo, Giulia
2016

ChemMedChem, 11 (2016) 12, S. 1252 - 1258

OpenAccess OpenAccess

13

Journal Article

Computer Modeling of Halogen Bonds and Other σ-Hole Interactions

Kolář, Michal H.
2016

Chemical reviews, 116 (2016) 9, S. 5155 - 5187

14

Journal Article

Role of Molecular Dynamics and Related Methods in Drug Discovery

De Vivo, Marco
2016

Journal of medicinal chemistry, 59 (2016) 9, S. 4035 - 4061

15

Journal Article

Cooperative motion of a key positively charged residue and metal ions for DNA replication catalyzed by human DNA Polymerase-η

Genna, Vito
2016

Nucleic acids symposium series, 44 (2016) 6, S. 2827 - 2836

OpenAccess OpenAccess

16

Journal Article

Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations

Ghaemi, Zhaleh
2016

Journal of chemical theory and computation, 12 (2016) 8, S. 4093 - 4099

17

Journal Article

Engineered human angiogenin mutations in the placental ribonuclease inhibitor complex for anticancer therapy: Insights from enhanced sampling simulations

Cong, Xiaojing
2016

Protein science, 25 (2016) 8, S. 1451 - 1460

18

Journal Article

Ligand binding to anti-cancer target CD44 investigated by molecular simulations

Nguyen, Tin Trung
2016

Journal of molecular modeling, 22 (2016) 7, S. 165

19

Journal Article

HRD Motif as the Central Hub of the Signaling Network for Activation Loop Autophosphorylation in Abl Kinase

La Sala, Giuseppina
2016

Journal of chemical theory and computation, 12 (2016) 11, S. 5563 - 5574

20

Journal Article

A Self-Activated Mechanism for Nucleic Acid Polymerization Catalyzed by DNA/RNA Polymerases

Genna, Vito
2016

Journal of the American Chemical Society, 138 (2016) 44, S. 14592 - 14598

OpenAccess OpenAccess

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