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

PLoS computational biology, 2015-06, Vol.11 (6), p.e1004282-e1004282

2015

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

Nucleic acids research, 2011-10, Vol.39 (18), p.8248

2011

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

Biochemistry (Easton), 2016-05, Vol.55 (17), p.2500-2509

2016

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Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design

Structure (London), 2024-08, Vol.32 (8), p.1040-1048.e3

2024

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

Chembiochem : a European journal of chemical biology, 2011-11, Vol.12 (17), p.2615-2622

2011

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

Nucleic acids research, 2019-09, Vol.47 (16), p.8675

2019

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

Proceedings of the National Academy of Sciences - PNAS, 2019-04, Vol.116 (14), p.7015-7020

2019

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

Nucleic acids research, 2016-12, Vol.44 (21), p.10423

2016

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

The Journal of biological chemistry, 2018-06, Vol.293 (23), p.9064-9077

2018

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

The journal of physical chemistry. B, 2014-06, Vol.118 (22), p.5807-5816

2014

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

Biochemistry (Easton), 2016-10, Vol.55 (41), p.5854-5864

2016

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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

Organic & biomolecular chemistry, 2012-02, Vol.10 (8), p.1543-1552

2012

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

ACS infectious diseases, 2020-03, Vol.6 (3), p.515-528

2020

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

ACS infectious diseases, 2020-03, Vol.6 (3), p.515-528

2020

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XPF-Dependent DNA Breaks and RNA Polymerase II Arrest Induced by Antitumor DNA Interstrand Crosslinking-Mimetic Alkaloids

Chemistry & biology, 2011-08, Vol.18 (8), p.988-999

2011

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

Proceedings of the National Academy of Sciences - PNAS, 2019-05, Vol.116 (19), p.9318-9323

2019

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Elucidation of Ligand-Dependent Modulation of Disorder-Order Transitions in the Oncoprotein MDM2: e1004282

PLoS computational biology, 2015-06, Vol.11 (6)

2015

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

Biochemistry (Easton), 2016-10, Vol.55 (41), p.5854-5864

2016

Volltextzugriff (PDF)

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

The journal of physical chemistry. B, 2014-05, Vol.118 (22), p.5807-5816

2014

Volltextzugriff (PDF)

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 reactivityElectronic supplementary information (ESI) available: Additional bonded and nonbonded parameters for drugs and modified bases, four additional figures and a scheme representing the different molecular complexes and techniques employed during the study of the reactions between

2012-02

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

PLoS neglected tropical diseases, 2020-07, Vol.14 (7), p.e0008458

2020

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

Biochemical pharmacology, 2009-07, Vol.78 (2), p.162-170

2009

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Elucidating the proton transfer mechanism of the respiratory Complex I using all-atom molecular dynamics simulations

Biochimica et biophysica acta. Bioenergetics, 2016-08, Vol.1857, p.e35-e35

2016

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Instability of aquaglyceroporin

PLoS neglected tropical diseases, 2020-07, Vol.14 (7)

2020

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

Biochemical pharmacology, 2009-05, Vol.78 (2)

2009

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

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

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

Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design

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

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

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

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

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

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

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

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

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

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

XPF-Dependent DNA Breaks and RNA Polymerase II Arrest Induced by Antitumor DNA Interstrand Crosslinking-Mimetic Alkaloids

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

Elucidation of Ligand-Dependent Modulation of Disorder-Order Transitions in the Oncoprotein MDM2: e1004282

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

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

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

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

Elucidating the proton transfer mechanism of the respiratory Complex I using all-atom molecular dynamics simulations

Instability of aquaglyceroporin

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

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