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1

Modelling eNvironment for Isoforms (MoNvIso): A general platform to predict structural determinants of protein isoforms in genetic diseases

Oliva, Francesco
2023

Frontiers in Chemistry, 10 (2023) S. 1059593

OpenAccess

2

Journal Article

Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease

Manelfi, Candida
2021

Molecules, 26 (2021) 4, S. 797 -

OpenAccess

3

Journal Article

A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics

Gossen, Jonas
2021

ACS pharmacology & translational science, 4 (2021) 3, S. 1079–1095

Get full text OpenAccess

4

Journal Article

Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen

Kuzikov, Maria
2021

ACS pharmacology & translational science, 4 (2021) 3, S. 1096 - 1110

OpenAccess

5

Journal Article

Predicting ligand binding poses for low-resolution membrane protein models: Perspectives from multiscale simulations

Schneider, Jakob
2018

Biochemical and biophysical research communications, 498 (2018) 2, S. 366 - 374

Restricted Published on 2018-02-02. Available in OpenAccess from 2019-02-02. Restricted

6

Journal Article

Evidence for a Transient Additional Ligand Binding Site in the TAS2R46 Bitter Taste Receptor

Sandal, Massimo
2015

Journal of chemical theory and computation, 11 (2015) 9, S. 4439 - 4449

7

Contribution to a conference proceedings

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

Bochicchio, Anna
2014

8

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

9

Contribution to a book

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

Musiani, Francesco
2014

2014

10

Journal Article

Conformational Fluctuations of UreG, an Intrinsically Disordered Enzyme

Musiani, Francesco
2013

Biochemistry, 52 (2013) 17, S. 2949 - 2954

11

Journal Article

GOMoDo: A GPCRs Online Modeling and Docking Webserver

Sandal, Massimo
2013

PLoS one, 8 (2013) 9, S. e74092 -

OpenAccess OpenAccess

12

Review
Journal Article

Structure/Function Relationships of Phospholipases C Beta

Sandal, Massimo
2013

Current protein & peptide science, 14 (2013) 8, S. 650 - 657

13

Journal Article

Computational Study of the DNA-Binding Protein Helicobacter pylori NikR: The Role of Ni $^{2+}$

Musiani, Francesco
2010

Journal of chemical theory and computation, 6 (2010) 11, S. 3503 - 3515

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