JuLib | Articles & more - {"De Vivo, Marco"}

1

Journal Article

Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations

Raghavan, Bharath
2023

Journal of chemical information and modeling, 63 (2023) 12, S. 3647 - 3658

“...De Vivo, Marco...”
OpenAccess

2

Journal Article

Combining structural and coevolution information to unveil allosteric sites

La Sala, Giuseppina
2023

Chemical science, 14 (2023) 25, S. 7057-7067

“...De Vivo, Marco...”
OpenAccess

3

Journal Article

Innovative Non-PrP-Targeted Drug Strategy Designed to Enhance Prion Clearance

Colini Baldeschi, Arianna
2022

Journal of medicinal chemistry, 65 (2022) 13, S. 8998 - 9010

“...De Vivo, Marco...”
OpenAccess

4

Journal Article

Second-Shell Basic Residues Expand the Two-Metal-Ion Architecture of DNA and RNA Processing Enzymes

Genna, Vito
2018

Structure, 26 (2018) S. 40-50

“...De Vivo, Marco...”
OpenAccess OpenAccess

5

Journal Article

Pharmacophore Hybridization To Discover Novel Topoisomerase II Poisons with Promising Antiproliferative Activity

Ortega, Jose Antonio
2018

Journal of medicinal chemistry, 61 (2018) 3, S. 1375-1379

“...De Vivo, Marco...”
OpenAccess OpenAccess

6

Journal Article

A Strategically Located Arg/Lys Residue Promotes Correct Base Paring During Nucleic Acid Biosynthesis in Polymerases

Genna, Vito
2018

Journal of the American Chemical Society, 140 (2018) 9, S. 3312 - 3321

“...De Vivo, Marco...”

7

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 -

“...De Vivo, Marco...”
OpenAccess OpenAccess

8

Journal Article

Recent advances in dynamic docking for drug discovery

De Vivo, Marco
2017

Wiley interdisciplinary reviews / Computational Molecular Science, 7 (2017) 6, S. e1320 -

“...De Vivo, Marco...”

9

Journal Article

Allosteric Communication Networks in Proteins Revealed through Pocket Crosstalk Analysis

La Sala, Giuseppina
2017

ACS central science, 3 (2017) 9, S. 949 - 960

“...De Vivo, Marco...”
OpenAccess OpenAccess

10

Journal Article

Novel xanthone-polyamine conjugates as catalytic inhibitors of human topoisomerase IIα

Minniti, Elirosa
2017

Bioorganic & medicinal chemistry letters, 27 (2017) 20, S. 4687 - 4693

“...De Vivo, Marco...”

11

Contribution to a book

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

Martín-Santamaría, Sonsoles
2017

“...De Vivo, Marco...”

12

Journal Article

Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition

Riccardi, Laura
2017

Chem, 3 (2017) 1, S. 92 - 109

“...De Vivo, Marco...”
OpenAccess OpenAccess

13

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

“...De Vivo, Marco...”
OpenAccess OpenAccess

14

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

“...De Vivo, Marco...”

15

Contribution to a book

Chapter 9. First Principles Methods in Biology: From Continuum Models to Hybrid Ab initio Quantum Mechanics/Molecular Mechanics

Dreyer, Jens
2016

“...De Vivo, Marco...”

16

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

“...De Vivo, Marco...”
OpenAccess OpenAccess

17

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

“...De Vivo, Marco...”

18

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

“...De Vivo, Marco...”
OpenAccess OpenAccess

19

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

“...De Vivo, Marco...”

20

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

“...De Vivo, Marco...”

Narrow Search Results