IAS-5/INM-9 team leaded an international collaboration contributing in the research for SARS-CoV-2 inhibitors
March 21, 2021 - An international collaboration leaded by an IAS-5/INM-9 team reported a method to predict more precisely which molecules inhibit “Mpro”, the main protease of SARS-CoV-2.
On December 3, our former Ph.D. student Jakob Schneider successfully defended his Ph.D. thesis entitled "Towards Pharmaceutical Applications on Low Resolution Models of Human G Protein-Coupled Receptors: A Novel Hybrid Molecular Mechanics/Coarse-Grained Simulation Approach " at the Faculty of Mathematics, Informatics and Natural Sciences of the RWTH Aachen University.
On August 19, our former Ph.D. student Luca Maggi successfully defended his Ph.D. thesis entitled "How Vibrational Energy Exchange Study in Proteins Can Shed The Light on Important Biological Functions" at the Faculty of Mathematics, Informatics and Natural Sciences of the RWTH Aachen University.
On May 26, our former Ph.D. student Michael Margreiter successfully defended his Ph.D. thesis entitled "Developing Inhibitors of the Enzyme ‘TRMT2a’ for the Treatment of PolyQ Diseases" at the Faculty of Mathematics, Informatics and Natural Sciences of the RWTH Aachen University.
Molecular Basis of CLC Antiporter Inhibition by Fluoride
April 1, 2020 - The prestigious Journal of the American Chemical Society has just published the article:Molecular Basis of CLC Antiporter Inhibition by Fluorideby some members of IAS-5 / INM-9 in collaboration with an internaltional team.
FZJ and IIT in the Helmholtz European Partnering programme
September 12, 2019 - Forschungszentrum Jülich is one of three Helmholtz centres to receive funding for joint European research projects as part of the Helmholtz European Partnering programme.
On April 30, our former Ph.D. student Luca Pesce successfully defended his Ph.D. thesis entitled "Molecular Simulations Studies on Human NEET Proteins, Novel Targets for Pharmaceutical Intervention" at the Faculty of Mathematics, Informatics and Natural Sciences of the RWTH Aachen University.
Prof. Alejandro Giorgetti appointed W2 Professor at University of Verona
December 20, 2017 - Prof. Alejandro Giorgetti, associate scientist of IAS-5/INM-9 in protein structural bioinformatics, just got today his W2 professorship at the University of Verona, Italy.
On November 23, our former Ph.D. student Anna Bochicchio successfully defended her Ph.D. thesis entitled "Ligands and proteins targeting RNA involved in human diseases: structural and affinity predictions from atomistic simulations" at the Faculty of Mathematics, Informatics and Natural Sciences of the RWTH Aachen University.
On March 27, American Chemical Society has published the ACS LiveSlides presentation for our recent article "Proton Dynamics in Protein Mass Spectrometry".
On March 9, our former Ph.D. student Ruyin Cao successfully defended her Ph.D. thesis entitled "Role of membrane composition and the extracellular loops for ligand binding to the neuronal human adenosine receptor type 2A" at the Faculty of Mathematics, Informatics and Natural Sciences of the RWTH Aachen University.
Jülich Delegation visited Vietnam University (VNU) in Hanoi
February 24, 2017 - A delegation from Forschungszentrum Jülich headed by Prof. Sebastian Schmidt (Board of Directors) visited the University of Science which belongs to VNU on the occasion of a reception and a workshop held at the start of a co-directorship of Prof. Paolo Carloni (director of IAS-5/INM-9) and Prof. Nguyen The Toan at the VNU KeyLab on Multiscale Simulations of Complex Systems.
On December 13, our former Ph.D. student Matic Pavlin successfully defended his Ph.D. thesis entitled "Investigating functional aspects and inhibition of the human carnosinase CN1 enzyme via computational methods" at the German Research School for Simulation Sciences.
November 9, 2016 - Our novel self-activated mechanism (SAM) for nucleic acid polymerization in ternary DNA/RNA polymerase is now published on the prestigious Journal of the American Chemical Society (JACS).
July 1, 2016 - IAS-5 / INM-9 and the VNU University of Science at Hanoi (Vietnam) established the new Key Science Laboratory on Multiscale Simulations of Complex Systems.
On June 1, our former Ph.D. student Massimo Sandal successfully defended his Ph.D. thesis entitled "Finding common structural traits of GPCRs by computational molecular biology approaches" at the German Research School for Simulation Sciences.
Dr. Valeria Losasso has got a permanent position in UK
November 4, 2015 - Valeria Losasso, Ph.D student in the group until 2012, has just got a permanent position as Computational Scientist at the Scientific Computing Department (Computational Biology Group) of the Science and Technology Facilities Council (STFC), Daresbury, UK.
CECAM Workshop on "Computational Approaches to Chemical Senses"
September 9, 2015 - The IAS-5/INM-9 scientists has organized the CECAM Workshop on computational approaches to chemical senses, which will be held at JSC from September 9 to 11.
July 8, 2015 - Dr. Marco De Vivo, group leader of the Laboratory of Molecular Modeling and Drug Discovery at the Istituto Italiano di Tecnologia (IIT) in Genoa (Italy), is now also affiliated as "Research Associate" to the IAS-5 / INM-9.
BioExcel Consortium approved by European Commission
May 8, 2015 - Within the framework of European Union's Horizon 2020 research and innovation program (call H2020-EINFRA-2015-1), the European Commision has approved the BioExel initiative. IAS-5/INM-9 is one of the members of the Consortium.
On February 10, our former Ph.D. student Jinyu Li successfully defended his Ph.D. thesis entitled "Assessment of the Structure of Protein-Protein Complexes Using Computational Methods" at the Uniklinik RWTH Aachen.
January 12, 2015 - The prestigious Angewandte Chemie journal has just published online (later it will appear in the regular issue) the article:Structure and Dynamics of Oligonucleotides in the Gas Phaseby some members of IAS-5 / INM-9 in collaboration with a Spanish and a Belgian team.
December 16, 2014 - Dr. Giulia Rossetti has been appointed as Junior Professor in Computer-based molecular science at University Hospital RWTH Aachen.
The European Joint Doctorate Program HPC-LEAP is accepting applications for the academic year 2015-2016.
November 3, 2014 - The European Joint Doctorate Program in High Performance Computing for Life sciences, Engineering and Physics (HPC-LEAP), funded by the European Union’s Horizon 2020 research and innovation programme, is accepting applications for the academic year 2015-2016.
Dr. Xiaojing Cong was awarded with 2013 Chinese Government Award for Outstanding Self-financed Students Abroad
July 18, 2014 - Dr. Xiaojing Cong was honored with the 2013 Chinese Government Award for Outstanding Self-financed Students Abroad. The award recognizes exceptional scientific achievements during doctoral studies and is assigned annually to 500 outstanding Chinese students abroad who are not funded by the Chinese government.
DFG Project "ERA-Chemistry: Design and synthesis of biologically inspired ion-conducting nanopores"
March 19, 2014 - The German Research Foundation (DFG, Deutsche Forschungsgemeinschaft) has funded the research project "ERA-Chemistry: Design and synthesis of biologically inspired ion-conducting nanopores" leaded by Prof. Paolo Carloni in collaboration with Prof. Dezső Boda of University of Pannonia, Veszprém. (Hungary).
Dr. Domenica Dibenedetto defended her Ph.D. thesis
On February 6, our former Ph.D. student Domenica Dibenedetto successfully defended her Ph.D. thesis entitled "Predicting conformational ensembles of the intrinsically disordered protein alpha-synuclein via molecular simulation" at the German Research School for Simulation Sciences.
DFG Project "Computer-aided design of immunotoxins for a potential anti-cancer therapy"
February 05, 2014 - The German Research Foundation (DFG, Deutsche Forschungsgemeinschaft) has funded the research project "Computer-aided design of immunotoxins for a potential anti-cancer therapy" leaded by Prof. Paolo Carloni in collaboration with Prof. Stefan Barth, director of the Department of Pharmaceutical Product Development at the Fraunhofer IME in Aachen and the Department of Experimental Medicine and Immunotherapy at the Institute for Applied Medical Engineering at the University Hospital of Aachen.
October 14, 2013 - With more than 130 research institutions from Europe and around the world on board and hundreds of scientists in a myriad of fields participating, the Human Brain Project is the most ambitious neuroscience project ever launched. Its goal is to develop methods that will enable a deep understanding of how the human brain operates. The knowledge gained will be a key element in developing new medical and information technologies.IAS-5 will contribute to the Human Brain Project by investigating scenarios in a neuronal cascade by molecular simulations.
Dr. Chao Zhang was awarded with Jülich Excellence-Prize 2013
June 15, 2013 - Dr. Chao Zhang received the Jülich Excellence-Prize 2013. The prize recognizes the exceptional scientific achievements at an early career stage, which exceed the expected standard of good young scientists by far.
In his thesis Chao Zhang provided fundamental contributions to our understanding of proton transport on cell membrane surfaces. He performed one of the largest quantum mechanical simulations in biophysics so far, using the Petaflop-computer JUGENE in Jülich in the framework of a PRACE project. With this, Chao Zhang was able to elucidate a longstanding experimental puzzle, namely how to reconcile strong binding of protons to the cell membrane surface with fast interfacial proton motion. His ab initio simulations have shown unambiguously that some protons are localized at the cell surface. However, protons located in a second interfacial water layer migrate very quickly and yet experience sufficient attractive forces to prevent release to the bulk water.
The prize have been delivered during the annual JuDocs event at the Forschungszentrum Jülich on June 15, 2013.Dr. Chao Zhang was awarded with Jülich Excellence-Prize 2013
Dr. Chao Zhang was awarded with the 2012 Chinese Government Prize for Outstanding Students Abroad
April 3, 2013 - The China Scholarship Council (CSC) awarded our former PhD student Dr. Chao Zhang with the 2012 Chinese Government Award for Outstanding Students Abroad. This award was founded by the Chinese government in 2003 with the purpose of rewarding the academic excellence of Chinese students studying overseas without Chinese stipend. Only those with outstanding performance in their PhD studies will be considered by the award selection panel and at most 500 young talents will be granted the award each year all over the world.
Prof. Carloni awarded Distinguished Professor
Prof. Paolo Carloni has been awarded the title of Distinguished Professor of the Vietnam National University by the President Prof. Dr. Phan Thanh Binh of the university. The Vietnam National University, Ho Chi Minh City (VNU-HCM), is the largest and most distinguished university in Vietnam. The Chair of International Affairs and the Chair of Scientific and Technological Affairs of VNU-HCM nominated him for this honour because of his work in scientific research and his contribution to the establishment of the computational biomedical group at VNU-HCM and continuing collaboration with several research units within VNU-HCM and other Vietnamese institutes.
September 11, 2012 - Dr. Giulia Rossetti was awarded the prestigious Friedrich-Wilhelm-Preis 2012 from RWTH Aachen University for her excellent PhD thesis"Structural aspects of the Huntingtin protein investigated by biocomputing methods"where she successfully elucidated key aspects of the structural biology of the Huntingtin protein.
