Chemistry
Listando 7 trabajos del autor/autora 37
Lista de trabajos en el área Chemistry
Mentions
104
Twitter
0
Wikipedia
5
News
0
Policy
Article
Dynamic undocking and the quasi-bound state as tools for drug discovery
Ruiz-Carmona, Sergio; Schmidtke, Peter; Luque, F. Javier; Baker, Lisa; Matassova, Natalia; Davis, Ben; Roughley, Stephen; Murray, James; Hubbard, Rod; Barril, Xavier
NATURE CHEMISTRY
1755-4330 (2017)
DOI /
10.1038/nchem.2660
Green accepted
Mentions
43
Twitter
0
Wikipedia
2
News
0
Policy
Article
An investigation of structural stability in protein-ligand complexes reveals the balance between order and disorder
Majewski, Maciej; Ruiz-Carmona, Sergio; Barril, Xavier
COMMUNICATIONS CHEMISTRY
2399-3669 (2019)
DOI /
10.1038/s42004-019-0205-5
Gold, Green published
Mentions
22
Twitter
0
Wikipedia
0
News
0
Policy
Article
Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions
Arcon, Juan Pablo; Defelipe, Lucas A.; Modenutti, Carlos P.; Lopez, Elias D.; Alvarez-Garcia, Daniel; Barril, Xavier; Turjanski, Adrian G.; Marti, Marcelo A.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2017)
DOI /
10.1021/acs.jcim.6b00678
Mentions
16
Twitter
0
Wikipedia
0
News
0
Policy
Article
Fluorogenic Trp(redBODIPY) cyclopeptide targeting keratin 1 for imaging of aggressive carcinomas
Subiros-Funosas, Ramon; Ho, Vivian Cheuk Lam; Barth, Nicole D.; Mendive-Tapia, Lorena; Pappalardo, Morena; Barril, Xavier; Ma, Ruoyu; Zhang, Cheng-Bin; Qian, Bin-Zhi; Sintes, Miquel; Ghashghaei, Ouldouz; Lavilla, Rodolfo; Vendrell, Marc
CHEMICAL SCIENCE
2041-6520 (2020)
DOI /
10.1039/c9sc05558d
Green published, Gold
Mentions
11
Twitter
0
Wikipedia
0
News
0
Policy
Article
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening
Pablo Arcon, Juan; Defelipe, Lucas A.; Lopez, Elias D.; Burastero, Osvaldo; Modenutti, Carlos P.; Barril, Xavier; Marti, Marcelo A.; Turjanski, Adrian G.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2019)
DOI /
10.1021/acs.jcim.9b00371
Green published
Mentions
9
Twitter
0
Wikipedia
0
News
0
Policy
Article
LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening
Radusky, Leandro; Ruiz-Carmona, Sergio; Modenutti, Carlos; Barril, Xavier; Turjanski, Adrian G.; Marti, Marcelo A.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2017)
DOI /
10.1021/acs.jcim.7b00241
Mentions
2
Twitter
0
Wikipedia
0
News
0
Policy
Article
Structural Stability Predicts the Binding Mode of Protein-Ligand Complexes
Majewski, Maciej; Barril, Xavier
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2020)
DOI /
10.1021/acs.jcim.9b01062
