J. Bueren-Calabuig

发表

Elucidation of Ligand-Dependent Modulation of Disorder-Order Transitions in the Oncoprotein MDM2

Julien Michel, Juan A. Bueren-Calabuig, J. Bueren-Calabuig, 2015, PLoS Comput. Biol..

Impact of Ser17 Phosphorylation on the Conformational Dynamics of the Oncoprotein MDM2.

J. Bueren-Calabuig, J. Michel, 2016, Biochemistry.

Mechanism of allosteric activation of human mRNA cap methyltransferase (RNMT) by RAM: insights from accelerated molecular dynamics simulations

Juan A. Bueren-Calabuig, Andrei V. Pisliakov, V. Cowling, 2019, bioRxiv.

Mechanistic Insight into the Catalytic Activity of ββα‐Metallonucleases from Computer Simulations: Vibrio vulnificus Periplasmic Nuclease as a Test Case

J. Bueren-Calabuig, F. Gago, A. Jiménez-Ruiz, 2011, Chembiochem : a European journal of chemical biology.

Molecular pharmacology and antitumor activity of Zalypsis in several human cancer cell lines.

Juan A. Bueren-Calabuig, J. Bueren-Calabuig, F. Gago, 2009, Biochemical pharmacology.

PM01183, a new DNA minor groove covalent binder with potent in vitro and in vivo anti‐tumour activity

Juan A. Bueren-Calabuig, J. Bueren-Calabuig, F. Gago, 2010, British journal of pharmacology.

Rationale for the opposite stereochemistry of the major monoadducts and interstrand crosslinks formed by mitomycin C and its decarbamoylated analogue at CpG steps in DNA and the effect of cytosine modification on reactivity.

Juan A. Bueren-Calabuig, J. Bueren-Calabuig, F. Gago, 2012, Organic and biomolecular chemistry.

Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis

Juan A. Bueren-Calabuig, Andrei V. Pisliakov, David W. Gray, 2019, Proceedings of the National Academy of Sciences.

XPF-dependent DNA breaks and RNA polymerase II arrest induced by antitumor DNA interstrand crosslinking-mimetic alkaloids.

Juan A. Bueren-Calabuig, J. Bueren-Calabuig, F. Gago, 2011, Chemistry & biology.

The Qi Site of Cytochrome b is a Promiscuous Drug Target in Trypanosoma cruzi and Leishmania donovani

Juan A. Bueren-Calabuig, I. Gilbert, A. Fairlamb, 2020, ACS infectious diseases.

Instability of aquaglyceroporin (AQP) 2 contributes to drug resistance in Trypanosoma brucei

Juan A. Bueren-Calabuig, Mark C. Field, H. D. de Koning, 2020, bioRxiv.

Unraveling the Differences of the Hydrolytic Activity of Trypanosoma cruzitrans-Sialidase and Trypanosoma rangeli Sialidase: A Quantum Mechanics–Molecular Mechanics Modeling Study

A. Roitberg, J. Bueren-Calabuig, G. Pierdominici-Sottile, 2014, The journal of physical chemistry. B.

Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition

Juan A. Bueren-Calabuig, David W. Gray, Frederick R. C. Simeons, 2019, Proceedings of the National Academy of Sciences.

Stepwise Simulation of 3,5-Dihydro-5-methylidene-4H-imidazol-4-one (MIO) Biogenesis in Histidine Ammonia-lyase.

Juan A. Bueren-Calabuig, J. Bueren-Calabuig, F. Gago, 2016, Biochemistry.

A structural study of the complex between neuroepithelial cell transforming gene 1 (Net1) and RhoA reveals a potential anticancer drug hot spot

G. Ferry, L. Vuillard, J. Boutin, 2018, The Journal of Biological Chemistry.

Temperature-induced melting of double-stranded DNA in the absence and presence of covalently bonded antitumour drugs: insight from molecular dynamics simulations

Juan A. Bueren-Calabuig, J. Bueren-Calabuig, F. Gago, 2011, Nucleic acids research.

Molecular pharmacology and antitumor activity of in several human cancer cell lines

J. Bueren-Calabuig, F. Gago, J. Leal, 2019 .

Molecular basis of RNA guanine-7 methyltransferase (RNMT) activation by RAM

Juan A. Bueren-Calabuig, Andrei V. Pisliakov, V. Cowling, 2016, Nucleic acids research.