E-LIB Suche - Ergebnisse für: Gervasio, Francesco L.

1

Drug-resistant EGFR mutations promote lung cancer by stabil..:

Iyer, R. Sumanth ; Needham, Sarah R. ; Galdadas, Ioannis...
Nature Communications. 15 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

2

Drug-resistant EGFR lung cancer mutations promote tumor gro..:

Needham, Sarah R. ; Iyer, Sumanth ; Davis, Benjamin M....
Biophysical Journal. 123 (2024) 3 - p. 100a-101a , 2024

Link: https://doi.org/10.1016/..

3

Structural basis of connexin-36 gap junction channel inhibi..:

Ding, Xinyue ; Aureli, Simone ; Vaithia, Anand...
Cell Discovery. 10 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

4

Extended Metadynamics Protocol for Binding/Unbinding Free E..:

Calderón, Jacqueline C. ; Plut, Eva ; Keller, Max...
Journal of Chemical Information and Modeling. 64 (2023) 1 - p. 205-218 , 2023

Link: https://doi.org/10.1021/..

5

Mechanistic Insights into the Ligand-Induced Unfolding of a..:

Haldar, Susanta ; Zhang, Yashu ; Xia, Ying...
Journal of the American Chemical Society. 144 (2022) 2 - p. 935-950 , 2022

Link: https://doi.org/10.1021/..

6

Liquid-Phase Electron Microscopy in Structural Protein Stud..:

Ing, Gabriel ; De Pace, Cesare ; Guitierrez, Silvia Acosta...
Microscopy and Microanalysis. 27 (2021) S2 - p. 89-90 , 2021

Link: https://doi.org/10.1017/..

7

Imaging Protein Dynamics in Liquid Water:

De Pace, Cesare ; Acosta-Gutierrez, Silvia ; Ing, Gabriel...
Microscopy and Microanalysis. 27 (2021) S2 - p. 15-16 , 2021

Link: https://doi.org/10.1017/..

8

Aromatic side-chain flips orchestrate the conformational sa..:

Shukla, Vaibhav Kumar ; Siemons, Lucas ; Gervasio, Francesco L..
Chemical Science. 12 (2021) 27 - p. 9318-9327 , 2021

Link: https://doi.org/10.1039/..

9

Combining Machine Learning and Enhanced Sampling Techniques..:

Evans, Rhys ; Hovan, Ladislav ; Tribello, Gareth A....
Journal of Chemical Theory and Computation. 16 (2020) 7 - p. 4641-4654 , 2020

Link: https://doi.org/10.1021/..

10

Investigating Cryptic Binding Sites by Molecular Dynamics S..:

Kuzmanic, Antonija ; Bowman, Gregory R. ; Juarez-Jimenez, Jordi..
Accounts of Chemical Research. 53 (2020) 3 - p. 654-661 , 2020

Link: https://doi.org/10.1021/..

11

Biomolecular simulations in structure-based drug discovery

Methods and principles in medicinal chemistry, volume 75

Gervasio, Francesco L ; Spiwok, Vojtech , 2019

Link: https://onlinelibrary.wi..

12

Understanding Ligand Binding Selectivity in a Prototypical ..:

Mattedi, Giulio ; Deflorian, Francesca ; Mason, Jonathan S...
Journal of Chemical Information and Modeling. 59 (2019) 6 - p. 2830-2836 , 2019

Link: https://doi.org/10.1021/..

13

Importance of the Force Field Choice in Capturing Functiona..:

Kuzmanic, Antonija ; Pritchard, Ruth B. ; Hansen, D. Flemming.
The Journal of Physical Chemistry Letters. 10 (2019) 8 - p. 1928-1934 , 2019

Link: https://doi.org/10.1021/..

14

BioSimSpace: An interoperable Python framework for biomolec..:

Hedges, Lester ; Mey, Antonia ; Laughton, Charles...
Journal of Open Source Software. 4 (2019) 43 - p. 1831 , 2019

Link: https://doi.org/10.21105..

15

Structure and Dynamics of the EGF Receptor as Revealed by E..:

Martin-Fernandez, Marisa L. ; Clarke, David T. ; Roberts, Selene K...
Cells. 8 (2019) 4 - p. 316 , 2019

Link: https://doi.org/10.3390/..