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1

Journal Article

Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease

Albani, Simone
2024

Journal of chemical information and modeling, 64 (2024) 3, S. 892–904

OpenAccess

2

Journal Article

Topological origin of the protein folding transition

Di Cairano, Loris
2022

Physical review / E, 106 (2022) 5, S. 054134

OpenAccess OpenAccess

3

Journal Article

The geometric theory of phase transitions

Di Cairano, Loris
2022

Journal of physics / A, 55 (2022) 27, S. 27LT01 -

OpenAccess OpenAccess

4

Journal Article

Design, Synthesis, and In Silico Multitarget Pharmacological Simulations of Acid Bioisosteres with a Validated In Vivo Antihyperglycemic Effect

Domínguez-Mendoza, Elix Alberto
2021

Molecules, 26 (2021) 4, S. 799 -

OpenAccess

5

Journal Article

Topology and Phase Transitions: A First Analytical Step towards the Definition of Sufficient Conditions

Di Cairano, Loris
2021

Entropy, 23 (2021) 11, S. 1414 -

OpenAccess

6

Journal Article

Hamiltonian chaos and differential geometry of configuration space–time

Di Cairano, Loris
2021

Physica / D, 422 (2021) S. 132909 -

OpenAccess OpenAccess

7

Journal Article

How super-localization affects vibrational energy exchange process in proteins

Maggi, Luca
2021

Physica / A, 562 (2021) S. 125325 -

Published on 2020-10-01. Available in OpenAccess from 2022-10-01.

8

Journal Article

Hydration of chloride anions in the NanC Porin from Escherichia coli: A comparative study by QM/MM and MD simulations

Calandrini, V.
2014

The @journal of chemical physics, 141 (2014) 22, S. 22D521 -

OpenAccess OpenAccess

9

Journal Article

Mesencephalic dopaminergic neurons express a repertoire of olfactory receptors and respond to odorant-like molecules

Grison, Alice
2014

BMC genomics, 15 (2014) 1, S. 729 -

OpenAccess OpenAccess

10

Journal Article

GOMoDo: A GPCRs Online Modeling and Docking Webserver

Sandal, Massimo
2013

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

OpenAccess OpenAccess

11

Journal Article

Coarse-Grained/Molecular Mechanics of the TAS2R38 Bitter Taste Receptor: Experimentally-Validated Detailed Structural Prediction of Agonist Binding

Marchiori, Alessandro
2013

PLoS one, 8 (2013) 5, S. e64675 -

OpenAccess OpenAccess

12

Journal Article

Publisher's Note: “Molecular recognition of DNA by ligands: Roughness and complexity of the free energy profile” [J. Chem. Phys. 139, 145102 (2013)]

Zheng, Wenwei
2013

The @journal of chemical physics, 139 (2013) 22, S. 229901 -

OpenAccess OpenAccess

13

Journal Article

Molecular recognition of DNA by ligands: Roughness and complexity of the free energy profile

Zheng, Wenwei
2013

The @journal of chemical physics, 139 (2013) 14, S. 145102 -

OpenAccess OpenAccess

14

Journal Article

Advanced Computational Methods in Molecular Medicine

Giorgetti, Alejandro
2012

Journal of biomedicine and biotechnology, 2012 (2012) S. 1 - 2

OpenAccess OpenAccess

15

Journal Article

Hybrid Molecular Mechanics/Coarse-Grained Simulations for Structural Prediction of G-Protein Coupled Receptor/Ligand Complexes

Leguèbe, Michael
2012

PLoS one, 7 (2012) 10, S. e47332

OpenAccess OpenAccess

16

Journal Article

Permeation through the Cell Membrane of a Boron-Based β-Lactamase Inhibitor

Minozzi, Manuela
2011

PLoS one, 6 (2011) 8, S. e23187 -

OpenAccess OpenAccess

17

Journal Article

On the Zwitterionic Nature of Gas-Phase Peptides and Protein Ions

Marchese, Roberto
2010

PLoS Computational Biology, 6 (2010) 5, S. e1000775

OpenAccess OpenAccess

18

Journal Article

Insights into the Binding of Phenyltiocarbamide (PTC) Agonist to Its Target Human TAS2R38 Bitter Receptor

Biarnés, Xevi
2010

PLoS one, 5 (2010) 8, S. e12394 -

OpenAccess OpenAccess

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