Ana Negri

Schrodinger (United States) — United States

Medicine · Health Sciences

21h-index1.6kcitations57works3.02yr avg
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Research Topics

Cell Adhesion Molecules Research(17), Platelet Disorders and Treatments(16), Receptor Mechanisms and Signaling(7), Biochemical and Molecular Research(7), Neuropeptides and Animal Physiology(6)

Publications57 total

Discovery of a Novel Mutant-Selective Epidermal Growth Factor Receptor Inhibitor Using an <i>In Silico</i> Enabled Drug Discovery Platform
Journal of Medicinal Chemistry·2024· 5 cited
The Discovery of MORF-627, a Highly Selective Conformationally-Biased Zwitterionic Integrin αvβ6 Inhibitor for Fibrosis
Journal of Medicinal Chemistry·2024· 4 cited
Discovery of a Novel Mutant-Selective Epidermal Growth Factor Receptor Inhibitor Using in silico Enabled Drug Discovery Platform
2024· 2 citedOpen Access
Discovery of a Novel Mutant-Selective Epidermal Growth Factor Receptor Inhibitor Using in silico Enabled Drug Discovery Platform
2024· 1 citedOpen Access
Application of Free Energy Perturbation (FEP+) to Understanding Ligand Selectivity: A Case Study to Assess Selectivity Between Pairs of Phosphodiesterases (PDE’s)
Journal of Chemical Information and Modeling·2019· 35 cited
Identification of a Mycothiol-Dependent Nitroreductase from <i>Mycobacterium tuberculosis</i>
ACS Infectious Diseases·2018· 26 citedOpen Access
Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation
ACS Omega·2016· 145 citedOpen Access
Molecular dynamics techniques for modeling G protein-coupled receptors
Current Opinion in Pharmacology·2016· 28 cited
αIIbβ3 variants defined by next-generation sequencing: Predicting variants likely to cause Glanzmann thrombasthenia
Proceedings of the National Academy of Sciences·2015· 39 citedOpen Access
αIIbβ3 Variants Defined By Next Generation Sequencing: Implications for Predicting Variants Likely to Cause Glanzmann Thrombasthenia and Alloimmune Disorders
Blood·2014· 1 cited
RUC-4
Arteriosclerosis Thrombosis and Vascular Biology·2014· 81 citedOpen Access
Talin‐driven inside‐out activation mechanism of platelet αIIbβ3 integrin probed by multimicrosecond, all‐atom molecular dynamics simulations
Proteins Structure Function and Bioinformatics·2014· 22 citedOpen Access
A novel class of ion displacement ligands as antagonists of the αIIbβ3 receptor that limit conformational reorganization of the receptor
Bioorganic & Medicinal Chemistry Letters·2014· 21 cited
Swing-Out of the β3 Hybrid Domain Is Required for αIIbβ3 Priming and Normal Cytoskeletal Reorganization, but Not Adhesion to Immobilized Fibrinogen
PLoS ONE·2013· 14 citedOpen Access
Correction for Markov et al., The role of long-range connections on the specificity of the macaque interareal cortical network
Proceedings of the National Academy of Sciences·2013Open Access
Identification of a μ-δ opioid receptor heteromer-biased agonist with antinociceptive activity
Proceedings of the National Academy of Sciences·2013· 132 citedOpen Access
Probing the Dimerization Interface of <i>Leishmania infantum</i> Trypanothione Reductase with Site‐Directed Mutagenesis and Short Peptides
ChemBioChem·2013· 26 cited
Bioactive conformations of two seminal delta opioid receptor penta‐peptides inferred from free‐energy profiles
Biopolymers·2013· 6 citedOpen Access
Discovery of a Novel Selective Kappa-Opioid Receptor Agonist Using Crystal Structure-Based Virtual Screening
Journal of Chemical Information and Modeling·2013· 59 citedOpen Access
Mapping the Conformational Free-Energy Landscape of Classical Opioid Peptides using Extensive Molecular Dynamics and Bias Exchange Metadynamics Simulations
Biophysical Journal·2013Open Access
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Frequent Co-authors

Federico Gago(18), Marta Filizola(18), Barry S. Coller(12), Davide Provasi(8), Marı́a-José Camarasa(7), María‐Jesús Pérez‐Pérez(6), Jieqing Zhu(5), Jianghai Zhu(5), Timothy A. Springer(5), Jihong Li(5), Verónica García-Hernández(4), Won Suk Choi(4), Sarasija Naini(4), Craig J. Thomas(4), Olga Familiar(4), Anna Karlsson(4), Mats Svensson(4), Aleksey I. Gerasyuto(4), Alberto Domingo(3), Thijs Beuming(3)