Lucas A Defelipe

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Adrian TurjanskiProfessor of Bioinformatics, Department of Biological Chemistry, University of Buenos AiresDirección de correo verificada de qb.fcen.uba.ar
Marcelo MartiProf of Biological Chemistry, University of Buenos AiresDirección de correo verificada de qi.fcen.uba.ar
Juan Pablo ArconNostrum BiodiscoveryDirección de correo verificada de nostrumbiodiscovery.com
Osvaldo BurasteroEuropean Molecular Biology Laboratory, HamburgDirección de correo verificada de embl-hamburg.de
Elias Daniel LopezData Scientist, Arcos DoradosDirección de correo verificada de ar.mcd.com
Carlos ModenuttiUniversity of Buenos AiresDirección de correo verificada de qb.fcen.uba.ar
Xavier BarrilICREA Research Professor, University of BarcelonaDirección de correo verificada de ub.edu
Leandro RaduskyMiMARKDirección de correo verificada de mimark.es
Stephan NieblingEMBL HamburgDirección de correo verificada de embl-hamburg.de
Fernando Gabriel NoriegaProfessor of BiologyDirección de correo verificada de fiu.edu
Lisandro H. OteroResearcher CONICET -INBIAS-PLABEM-CRIPDirección de correo verificada de exa.unrc.edu.ar
Adrian RoitbergFrank Harris Professor. Department of Chemistry. University of Florida.Dirección de correo verificada de ufl.edu
Pablo Ivan Pereira RamosPh.D. Researcher, Fundação Oswaldo Cruz, Salvador, Bahia, Brazil.Dirección de correo verificada de fiocruz.br
Javier LuqueUniversity of Barcelona - Institut of BiomedicineDirección de correo verificada de ub.edu
Diego GautoInstitut de Chimie des Substances Naturelles (ICSN)Dirección de correo verificada de cnrs.fr
Dario Estrinuniversity of buenos aires (UBA)- INQUIMAE - CONICETDirección de correo verificada de qi.fcen.uba.ar
Carlos M GuardiaHead of the Placental Cell Biology Group, NIEHS/NIH, Durham (NC), USADirección de correo verificada de nih.gov
Ari ZeidaDepartamento de Bioquímica y Centro de Investigaciones Biomédicas, Facultad de Medicina, UniversidadDirección de correo verificada de fmed.edu.uy
R. Gonzalo ParraSenior Postdoctoral Researcher, Barcelona Supercomputing CenterDirección de correo verificada de bsc.es

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Lucas A Defelipe

Senior Technical Officer, EMBL Hamburg

Dirección de correo verificada de embl-hamburg.de

Drug design Kinases Methyltransferases Mycobacterium tuberculosis Endocytosis


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
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	102	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	88	2014
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
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	58	2019
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	58	2011
Aromatic clusters in protein–protein and protein–drug complexes E Lanzarotti, LA Defelipe, MA Marti, AG Turjanski Journal of cheminformatics 12 (1), 30, 2020	56	2020
TuberQ: a Mycobacterium tuberculosis protein druggability database L Radusky, LA Defelipe, E Lanzarotti, J Luque, X Barril, MA Marti, ... Database 2014, 2014	50	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	49	2015
FoldAffinity: binding affinities from nDSF experiments S Niebling, O Burastero, J Bürgi, C Günther, LA Defelipe, S Sander, ... Scientific Reports 11 (1), 9572, 2021	47	2021
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
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
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	39	2014
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	35	2018
eSPC: an online data-analysis platform for molecular biophysics O Burastero, S Niebling, LA Defelipe, C Günther, A Struve, ... Acta Crystallographica Section D: Structural Biology 77 (10), 1241-1250, 2021	31	2021
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	28	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	28	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	18	2021

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