What's New


June 20, 2014: Our new research article has been published in Angewandte Chemie

The online version of our new paper entitled ‘para-Nitroblebbistatin, the Non-Cytotoxic and Photostable Myosin II Inhibitor’ has been published in Angewandte Chemie International Edition. The study demonstrates the in vitro and in vivo characterization of a photostable, C15 nitro derivative of blebbistatin with improved biological features: it is neither photo- nor cytotoxic while exhibiting identical myosin II inhibitory properties. Read more.

anna rauscher

June 13, 2014: Doctoral Defence

Anna Rauscher successfully defended her PhD thesis entitled ‘Internal friction in enzyme reactions’, which was evaluated summa cum laude.       The thesis is available online.


December 13-14, Göd: Protein Interaction Meeting

Our winter Retreat Meeting took place at Göd, with invited speakers Prof. Dr. Georgios Tsiavaliaris (Medizinische Hochschule, Hannover) and Dr. Árpád Mike (Institute of Experimental Medicine of the Hungarian Academy of Sciences, Budapest).


December 12, 2013: Doctoral Defence

Boglárka Várkuti has successfully defended her PhD thesis entitled ‘Structural Background of Force Generation in Myosins’ and has been evaluated with summa cum laude.


October 2, 2013: Our new research article appeared in JMedChem

The online version of our new paper “Experimental Confirmation of New Drug-Target Interactions Predicted by Drug Profile Matching” appeared in JMedChem. The study demonstrates the predictive power of DPM verified by literature analysis as well as in vitro experiments. Read more


September 13, 2013: Open positions


We  are looking for two postdoctoral experts in the fields of neurophysiology and 2-photon microscopy


Application deadline: October 10th


July 1, 2013: nEuroICT project launched

nEuroICT is a joint consortial project of Eötvös Loránd University, Semmelweis University and the Institute of Experimental Medicine of the Hungarian Academy of Sciences. András is the scientific leader of the project. Our main goal is to selectively modulate single synapses by light-activated compounds in a two photon laser microscope  to investigate in vitro and in vivo neuronal networks. This project is funded by the National Development Agency. Read more (in Hungarian)


May 1, 2013: Open position


Postdoctoral position and funding opportunity


Application deadline: May 13th



December 24, 2012: Our new review article appeared in IUBMB Life

The online version of our new review “Internal friction in enzyme reactions” just appeared in IUBMB Life today. This review summarizes the results of experimental and theoretical studies that help to uncover the nature of internal friction. Read more


December 5, 2012: Our new research article appeared in JCIM

The online version of our new paper “Virtual Affinity Fingerprints for Target Fishing: A New Application of Drug Profile Matching” just appeared in JCIM today. Here we demonstrate the target prediction power of our DPM method. Read more


October 25, 2012: Visit at Zheijang Sci-Tech University, Hangzhou, China

András was nominated honorary doctor of the Zheijang Sci-Tech University. Following the ceremony András gave a lecture about polypharmacology and our latest Drug Profile Matching results. Also potential cooperation in Traditional Chinese Medicine research was further discussed.

Bender, Andreas

September 21, 2012: Visit of Andreas Bender, PhD

Andreas Bender (Lecturer at the Unilever Centre for Molecular Informatics, University of Cambridge) visited our lab and presented “Computational
Approaches to Polypharmacology and Mode-of-Action Analysis”.


June 29, 2012: Our new research article appeared in JCIM

Our new paper “Contribution of 2D and 3D Structural Features of Drug Molecules in the Prediction of Drug Profile Matching.” just appeared in JCIM. The paper reports our comparative study on DPM and 2D and 3D similarity fingerprinting methods. Read more


June 25, 2012: Visit of Prof. Xu Chuanlian

Prof. Xu Chuanlian (Zhejiang Sci-Tech University, China) visited our lab and presented their recent results in the research of active ingredients from Traditional Chinese Medicine (TCM) compounds for anticancer activity.


May 30, 2012: Our new research article appeared in PNAS

Our new paper “Azidoblebbistatin, a photoreactive myosin inhibitor” just appeared in PNAS. The paper reports the synthesis of a novel tool in cell and myosin research. Read more


February 13, 2012: Our new research article appeared in Nature Structural and Molecular Biology

Our new paper “A novel actin binding site of myosin required for effective muscle contraction” just appeared in NSMB. The paper deals with the conserved actin-binding region of myosin named the ‘activation loop’. It interacts with actin, accelerateing the movement of the relay, stimulating myosin’s ATPase activity. This interaction results in efficient force generation, but it is not essential for the unloaded motility, as we demonstrated in vivo using transgenic Caenorhabditis elegans strains.


January 23, 2012: Our latest research article is the cover story of JCIM

Our new paper “Drug Effect Prediction by Polypharmacology-Based Interaction Profiling” just appeared in the Journal of Chemical Information and Modeling (JCIM) was selected as cover story. The paper deals with our new Pattern-based Drug Design approach, and its apparition is an important milestone for us. JCIM is the second most highly cited journal of the field, and as this issue is a sample issue of JCIM the full text paper is available free of charge.


January 1, 2012: HAS Research Group started

The HAS-ELTE Molecular Biophysics Research Group is established, see the members here. The group is funded by the grant of the Hungarian Academy of Sciences for five years, and its project will focus on predicting relations of protein structural dynamics and enzymatic functions.


December 16-17, 2011: Rereat meeting in Visegrád

The Retreat Meeting with international participants, see the Programme here.


August 1, 2011: Research Communication appeared in FASEB Journal

FASEB Journal published in print the manuscript entitled “Temperature dependence of internal friction in enzyme reactions”, dealing with the elucidation the physical background of internal friction of enzyme reactions by investigating the temperature dependence of internal viscosity.


July 26, 2011: HAS Research Group application selected for funding

A new research group with András as the scientific leader will be started next January at Eotvos Lorand University. The group is funded by the grant of the Hungarian Academy of Sciences for five years, and its project will focus on predicting relations of protein structural dynamics and enzymatic functions.


July 1-2, 2011: TÁMOP conference in Dobogókő

The subproject named “Large systems in science and their computational simulation” is part of the TÁMOP project of our university (see the homepage of the project in Hungarian here). The first conference of the subproject will take place in Walden Hotel, Dobogókő, with plenary and section lectures from the 17 research groups involved. Our research group will present the news in the MIF project, and we are also organizers of this event since András is the executive leader of the subproject. A detailed description and programme of the conference can be found here.


June 1, 2011: New malnalab logo

Malnalab has a new logo. As the previous one, the new logo is based on an artwork of Krisztina Lehoczky, and was designed by Zoltan Simon as an illustration for the review “Emerging complex pathways of the actomyosin powerstroke“. The illustration was selected for the cover of the TiBS issue in which this review appeared end of last year.

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