Lucas A Defelipe

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Adrian TurjanskiProfessor of Bioinformatics, Department of Biological Chemistry, University of Buenos AiresPatvirtintas el. paštas qb.fcen.uba.ar
Marcelo MartiProf of Biological Chemistry, University of Buenos AiresPatvirtintas el. paštas qi.fcen.uba.ar
Juan Pablo ArconNostrum BiodiscoveryPatvirtintas el. paštas nostrumbiodiscovery.com
Osvaldo BurasteroEuropean Molecular Biology Laboratory, HamburgPatvirtintas el. paštas embl-hamburg.de
Elias Daniel LopezData Scientist, Arcos DoradosPatvirtintas el. paštas ar.mcd.com
Carlos ModenuttiUniversity of Buenos AiresPatvirtintas el. paštas qb.fcen.uba.ar
Xavier BarrilICREA Research Professor, University of BarcelonaPatvirtintas el. paštas ub.edu
Stephan NieblingEMBL HamburgPatvirtintas el. paštas embl-hamburg.de
Leandro RaduskyMiMARKPatvirtintas el. paštas mimark.es
Fernando Gabriel NoriegaProfessor of BiologyPatvirtintas el. paštas fiu.edu
Lisandro H. OteroResearcher CONICET -INBIAS-PLABEM-CRIPPatvirtintas el. paštas exa.unrc.edu.ar
Adrian RoitbergFrank Harris Professor. Department of Chemistry. University of Florida.Patvirtintas el. paštas ufl.edu
Pablo Ivan Pereira RamosPh.D. Researcher, Fundação Oswaldo Cruz, Salvador, Bahia, Brazil.Patvirtintas el. paštas fiocruz.br
Javier LuqueUniversity of Barcelona - Institut of BiomedicinePatvirtintas el. paštas ub.edu
Diego GautoInstitut de Chimie des Substances Naturelles (ICSN)Patvirtintas el. paštas cnrs.fr
Dario Estrinuniversity of buenos aires (UBA)- INQUIMAE - CONICETPatvirtintas el. paštas qi.fcen.uba.ar
Carlos M GuardiaHead of the Placental Cell Biology Group, NIEHS/NIH, Durham (NC), USAPatvirtintas el. paštas nih.gov
Ari ZeidaDepartamento de Bioquímica y Centro de Investigaciones Biomédicas, Facultad de Medicina, UniversidadPatvirtintas el. paštas fmed.edu.uy
R. Gonzalo ParraResearcher, Barcelona Supercomputing CenterPatvirtintas el. paštas bsc.es

Stebėti

Lucas A Defelipe

Senior Technical Officer, EMBL Hamburg

Patvirtintas el. paštas embl-hamburg.de

Drug design Kinases Methyltransferases Mycobacterium tuberculosis Endocytosis


Pavadinimas Rūšiuoti pagal šaltinius Rūšiuoti pagal metus Rūšiuoti pagal pavadinimą	Cituota Cituota	Metai
Molecular dynamics in mixed solvents reveals protein–ligand interactions, improves docking, and allows accurate binding free energy predictions JP Arcon, LA Defelipe, CP Modenutti, ED López, D Alvarez-Garcia, ... Journal of chemical information and modeling 57 (4), 846-863, 2017	106	2017
Preclinical development of novel Rac1-GEF signaling inhibitors using a rational design approach in highly aggressive breast cancer cell lines G A Cardama, M J Comin, L Hornos, N Gonzalez, L Defelipe, ... Anti-Cancer Agents in Medicinal Chemistry (Formerly Current Medicinal …, 2014	89	2014
Aromatic clusters in protein–protein and protein–drug complexes E Lanzarotti, LA Defelipe, MA Marti, AG Turjanski Journal of cheminformatics 12 (1), 30, 2020	70	2020
Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens EJ Sosa, G Burguener, E Lanzarotti, L Defelipe, L Radusky, AM Pardo, ... Nucleic acids research 46 (D1), D413-D418, 2018	64	2018
Juvenile hormone synthesis:“esterify then epoxidize” or “epoxidize then esterify”? Insights from the structural characterization of juvenile hormone acid methyltransferase LA Defelipe, E Dolghih, AE Roitberg, M Nouzova, JG Mayoral, ... Insect Biochemistry and Molecular Biology 41 (4), 228-235, 2011	62	2011
AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions JP Arcon, CP Modenutti, D Avendaño, ED Lopez, LA Defelipe, ... Bioinformatics 35 (19), 3836-3838, 2019	60	2019
FoldAffinity: binding affinities from nDSF experiments S Niebling, O Burastero, J Bürgi, C Günther, LA Defelipe, S Sander, ... Scientific Reports 11 (1), 9572, 2021	54	2021
TuberQ: a Mycobacterium tuberculosis protein druggability database L Radusky, LA Defelipe, E Lanzarotti, J Luque, X Barril, MA Marti, ... Database 2014, 2014	51	2014
Protein topology determines cysteine oxidation fate: the case of sulfenyl amide formation among protein families LA Defelipe, E Lanzarotti, D Gauto, MA Marti, AG Turjanski PLoS computational biology 11 (3), e1004051, 2015	47	2015
QM/MM study of the C—C coupling reaction mechanism of CYP121, an essential Cytochrome p450 of Mycobacterium tuberculosis VG Dumas, LA Defelipe, AA Petruk, AG Turjanski, MA Marti Proteins: Structure, Function, and Bioinformatics 82 (6), 1004-1021, 2014	46	2014
Thiol redox biochemistry: insights from computer simulations A Zeida, CM Guardia, P Lichtig, LL Perissinotti, LA Defelipe, A Turjanski, ... Biophysical reviews 6, 27-46, 2014	40	2014
Molecular dynamics simulations provide atomistic insight into hydrogen exchange mass spectrometry experiments AA Petruk, LA Defelipe, RG Rodriguez Limardo, H Bucci, MA Marti, ... Journal of chemical theory and computation 9 (1), 658-669, 2013	40	2013
eSPC: an online data-analysis platform for molecular biophysics O Burastero, S Niebling, LA Defelipe, C Günther, A Struve, ... Biological Crystallography 77 (10), 1241-1250, 2021	37	2021
Solvents to fragments to drugs: MD applications in drug design LA Defelipe, JP Arcon, CP Modenutti, MA Marti, AG Turjanski, X Barril Molecules 23 (12), 3269, 2018	37	2018
New one-pot synthesis of anti-tuberculosis compounds inspired on isoniazid DG Ghiano, A Recio-Balsells, A Bortolotti, LA Defelipe, A Turjanski, ... European journal of medicinal chemistry 208, 112699, 2020	30	2020
Cosolvent-based protein pharmacophore for ligand enrichment in virtual screening JP Arcon, LA Defelipe, ED Lopez, O Burastero, CP Modenutti, X Barril, ... Journal of Chemical Information and Modeling 59 (8), 3572-3583, 2019	29	2019
Kinase activation by small conformational changes ED Lopez, O Burastero, JP Arcon, LA Defelipe, NG Ahn, MA Marti, ... Journal of chemical information and modeling 60 (2), 821-832, 2019	22	2019
A whole genome bioinformatic approach to determine potential latent phase specific targets in Mycobacterium tuberculosis LA Defelipe, DF Do Porto, PIP Ramos, MF Nicolás, E Sosa, L Radusky, ... Tuberculosis 97, 181-192, 2016	22	2016
Functional analysis of a mosquito short‐chain dehydrogenase cluster JG Mayoral, KT Leonard, M Nouzova, FG Noriega, LA Defelipe, ... Archives of Insect Biochemistry and Physiology 82 (2), 96-115, 2013	21	2013
Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level LH Otero, S Foscaldi, GT Antelo, GL Rosano, S Sirigu, S Klinke, ... Science Advances 7 (48), eabh1097, 2021	19	2021

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