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Ana Negri
Ana Negri
Principal Scientist I
Verified email at schrodinger.com
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Year
PM01183, a new DNA minor groove covalent binder with potent in vitro and in vivo anti‐tumour activity
JFM Leal, M Martínez‐Díez, V García‐Hernández, V Moneo, A Domingo, ...
British journal of pharmacology 161 (5), 1099-1110, 2010
1222010
Identification of a μ-δ opioid receptor heteromer-biased agonist with antinociceptive activity
I Gomes, W Fujita, A Gupta, SA Saldanha, A Negri, CE Pinello, C Eberhart, ...
Proceedings of the National Academy of Sciences 110 (29), 12072-12077, 2013
1212013
Closed headpiece of integrin αIIbβ3 and its complex with an αIIbβ3-specific antagonist that does not induce opening
J Zhu, J Zhu, A Negri, D Provasi, M Filizola, BS Coller, TA Springer
Blood, The Journal of the American Society of Hematology 116 (23), 5050-5059, 2010
1122010
Predicting binding affinities for GPCR ligands using free-energy perturbation
EB Lenselink, J Louvel, AF Forti, JPD van Veldhoven, H de Vries, ...
ACS omega 1 (2), 293-304, 2016
942016
Molecular pharmacology and antitumor activity of Zalypsis® in several human cancer cell lines
JFM Leal, V García-Hernández, V Moneo, A Domingo, ...
Biochemical pharmacology 78 (2), 162-170, 2009
792009
Ligand-induced modulation of the free-energy landscape of G protein-coupled receptors explored by adaptive biasing techniques
D Provasi, MC Artacho, A Negri, JC Mobarec, M Filizola
PLoS computational biology 7 (10), e1002193, 2011
782011
Quantitative Analysis of Substrate Specificity of Haloalkane Dehalogenase LinB from Sphingomonas paucimobilis UT26
J Kmunícek, K Hynková, T Jedlicka, Y Nagata, A Negri, F Gago, RC Wade, ...
Biochemistry 44 (9), 3390-3401, 2005
782005
Structure-guided design of a high-affinity platelet integrin αIIbβ3 receptor antagonist that disrupts Mg2+ binding to the MIDAS
J Zhu, WS Choi, JG McCoy, A Negri, J Zhu, S Naini, J Li, M Shen, ...
Science translational medicine 4 (125), 125ra32-125ra32, 2012
742012
Antitumor activity, X-ray crystal structure, and DNA binding properties of thiocoraline A, a natural bisintercalating thiodepsipeptide
A Negri, E Marco, V García-Hernández, A Domingo, AL Llamas-Saiz, ...
Journal of medicinal chemistry 50 (14), 3322-3333, 2007
732007
Discovery of a novel selective kappa-opioid receptor agonist using crystal structure-based virtual screening
A Negri, ML Rives, MJ Caspers, TE Prisinzano, JA Javitch, M Filizola
Journal of chemical information and modeling 53 (3), 521-526, 2013
722013
RUC-4: a novel αIIbβ3 antagonist for prehospital therapy of myocardial infarction
J Li, S Vootukuri, Y Shang, A Negri, J Jiang, M Nedelman, TG Diacovo, ...
Arteriosclerosis, thrombosis, and vascular biology 34 (10), 2321-2329, 2014
522014
αIIbβ3 variants defined by next-generation sequencing: predicting variants likely to cause Glanzmann thrombasthenia
L Buitrago, A Rendon, Y Liang, I Simeoni, A Negri, ...
Proceedings of the National Academy of Sciences 112 (15), E1898-E1907, 2015
452015
Role of stacking interactions in the binding sequence preferences of DNA bis-intercalators: insight from thermodynamic integration free energy simulations
E Marco, A Negri, FJ Luque, F Gago
Nucleic acids research 33 (19), 6214-6224, 2005
452005
Stepwise dissection and visualization of the catalytic mechanism of haloalkane dehalogenase LinB using molecular dynamics simulations and computer graphics
A Negri, E Marco, J Damborsky, F Gago
Journal of Molecular Graphics and Modelling 26 (3), 643-651, 2007
372007
Exploring Acyclic Nucleoside Analogues as Inhibitors of Mycobacterium tuberculosis Thymidylate Kinase
O Familiar, H Munier‐Lehmann, A Negri, F Gago, D Douguet, L Rigouts, ...
ChemMedChem: Chemistry Enabling Drug Discovery 3 (7), 1083-1093, 2008
332008
Structure, physiological role, and specific inhibitors of human thymidine kinase 2 (TK2): present and future
MJ Pérez‐Pérez, EM Priego, AI Hernández, O Familiar, MJ Camarasa, ...
Medicinal research reviews 28 (5), 797-820, 2008
322008
Molecular dynamics techniques for modeling G protein-coupled receptors
FM McRobb, A Negri, T Beuming, W Sherman
Current opinion in pharmacology 30, 69-75, 2016
312016
3′-[4-Aryl-(1, 2, 3-triazol-1-yl)]-3′-deoxythymidine analogues as potent and selective inhibitors of human mitochondrial thymidine kinase
S Van Poecke, A Negri, F Gago, I Van Daele, N Solaroli, A Karlsson, ...
Journal of medicinal chemistry 53 (7), 2902-2912, 2010
312010
Talin‐driven inside‐out activation mechanism of platelet αIIbβ3 integrin probed by multimicrosecond, all‐atom molecular dynamics simulations
D Provasi, A Negri, BS Coller, M Filizola
Proteins: Structure, Function, and Bioinformatics 82 (12), 3231-3240, 2014
282014
Probing the Dimerization Interface of Leishmania infantum Trypanothione Reductase with Site‐Directed Mutagenesis and Short Peptides
MA Toro, PA Sánchez‐Murcia, D Moreno, M Ruiz‐Santaquiteria, ...
Chembiochem 14 (10), 1212-1217, 2013
252013
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