Nour's paper has been published in Journal of Physical Chemistry C, entitled "How Does MOF-303 Achieve High Water Uptake and Facile Release Capacity?" Congratulations to Nour and all other authors!

Congratulations Saif, Nour and Dr. Serdal for presenting their findings on project, entitled "Leveraging Machine Learning and Molecular Simulations for H2S Removal in Abu Dhabi Natural Gas Processing" at the Mubadala-NYUAD Collaborative Student Research Awards, Final Event.

Dr. Rabindranath Paul joined our group as a post-doctoral associate. Welcome Rabi!

Sharon presented a poster titled "Covalent Organic Framework Nanosheets for Diabetes: unveiling the molecular mechanism of glucose-induced insulin release" at the International Conference On Nanomedicine And Nanobiotechnology (ICONAN) 2024. Congratulations!

Prof. Serdal Kirmizialtin gave a talk on "Exploring the Structural Dynamics of RNAs via Experimentally Guided Computer Simulations" on International Computational Science and Engineering Conference (ICSEC23).

Saifeldeen presented his research on "Computational Study on the H2S Adsorption from Sour Natural Gas Using Metal Organic Frameworks" on International Computational Science and Engineering Conference (ICSEC23).

Dr. Weiwei He joined our group as a post-doctoral associate. Welcome Weiwei!

Our collaboration with Michael T Woodside at University of Alberta and Lois Pollack at Cornell University, that solves the solution structure of the SARS-CoV-2 pseudoknot from SAXS-driven molecular dynamics, has been published in Nucleic Acids Research titled "Atomistic structure of the SARS-CoV-2 pseudoknot in solution from SAXS-driven molecular dynamics". Congratulations to all!

Nour presented a poster titled "Accurate Computational Modelling of Water Regeneration Using Adsorbents" at the EuroMOF2023 conference. Congratulations!

Saif also presented a poster titled "Molecular Simulations on H2S capture" at the EuroMOF2023 conference. Congratulations!

Our collaboration with Xiangyun Qiu's group at the George Washington University has led to an exciting publication in J. Chem. Theory Comput. titled "Sequence-Dependent Orientational Coupling and Electrostatic Attraction in Cation-Mediated DNA–DNA Interactions". Congratulations to all!

Our first PhD student, Weiwei He, defended his thesis titled Nucleic Acid Structure and Interactions Revealed by Computer Simulations on August 24, 2023! Congratulations, Dr. He!

We are thrilled to announce that Dr. Serdal Kirmizialtin has been promoted to Tenured Associate Professor of Chemistry. Congratulations on the promotion! Please join us in congratulating Professor Kirmizialtin on this important accomplishment!

Our collaboration with Ali Trabolsi's group has been published in Nature Communications, titled "Light-driven self-assembly of spiropyran-functionalized covalent organic framework" Congratulations to Nour and all other authors!

Dr. Akshaya Das joined our group as a post-doctoral associate. Welcome Akshaya!

Our collaborative work with Jinghui Luo group at Paul Scherrer Institute, Switzerland has resulted in an exciting publication titled "Oligomer Dynamics of LL-37 Truncated Fragments Probed by α-Hemolysin Pore and Molecular Simulations". This research paper has been accepted for publication in the prestigious journal Small. Congratulations to Dr. Anja Henning and the entire collaborating team for their remarkable achievement!

We are glad to announce that Prof. Massimiliano Bonomi from the Pasteur Institute, France, will be giving a talk titled "Protein Structural Ensembles by Integrative Computational-Experimental Approaches." The seminar will take place on Thursday, April 27, from 2:30pm to 3:30pm in room C1-045. Faculty members, researchers, and students are cordially invited to attend this informative session.

We invite Prof. Nisanth Nair (IIT KANPU, INDIA) to give a talk on the topic of "Exploring Rugged Energy Landscapes of Chemical Reactions". The seminar will take place at ERB 045 on Thursday, Mar 30. All faculty, researchers, and students are invited to attend!

Marko Brnovic presented a poster titled 'Induced ion correlations lead to DNA attraction in manganese' at the 2023 Biophysical Society Annual Meeting.

Weiwei He also presented a poster titled 'Cationic lipid membranes condense double-strand DNA through ion bridging' at the same meeting.

Dr. Anja Henning delivered an oral talk titled 'Charge density effect in counter ion condensation on RNA' at the meeting.

Congratulations on your remarkable achievements!

Nour passed her Qualifying Exam and is now officially our PhD candidate. Congratulations! Best of luck in your studies!

Marko Brnovic and Weiwei He are both accepted to 2023 Biophysical Society Annual Meeting. They will give poster presentations of their current research. Congratulations!

Dr. Anja Henning's abstracts got accepted as a talk to 2023 Biophysical Society Annual Meeting. Congratulations!

Our collaborative work with Olivier Siri and Ali Trabolsi titled "Covalent Organic Framework Based on Azacalix[4]arene for the Efficient Capture of Dialysis Waste Products" got accepted for publication at ACS Appl. Mater. Interfaces. Congretulations Nawavi!

Weiwei visited Pollack Group during the summer! He will stay until August and work on the SAXS measurements of SARS-CoV-2 pseudoknot together with the lab.

Nour and Nawavi are accepted to present a poster entitled “Molecular Simulations on Atmospheric Water Harvesting using Adsorbents” at 7th International Conference on Multifunctional, Hybrid and Nanomaterials which is scheduled to take place between 19-22 October 2022, Genoa, Italy

Weiwei's work on RNA force field has been selected as poster presentation at ACS Fall 2022. He will present a poster entitled "Refining RNA force field with small-angle X-ray scattering of Helix-Junction-Helix RNA". Congretulations Weiwei!

We invite Prof. Ozgur Yazaydin (University College London, UK) to give a presentation on Biohybrid and Biomimetic Approaches for the Computational Design of Membranes. The seminar will be held at ERB 045 on Thursday, May 26. Open to all faculty, researchers and students, feel free to attend!

Nour is awarded NYUAD PhD Travel Award to present a poster titled "Molecular simulations on Atmospheric Water harvesting using adsorbents" at Molecular Simulation 2022: Present, Past and Future, on June 25-29, Italy. Congretulations and good luck Nour!

Weiwei wins as well the NYUAD PhD Travel Award to attend the Gordon Research Conferences (GRC). He will present a poster entitled "The refinement of Amber RNA force field via SAXS of Helix-Junction-Helix RNA" on July 17-22, Spain. Congretulations Weiwei!

Weiwei attended CECAM-HQ workshop held by EPFL, Switzerland, and he gave a poster presentation of combining molecular simualtions and machine learning to interpret RNA folding pathways. Good job, Weiwei.

Our collaborative work with Devarajan Thirumalai at University of Texas, Austin, titled "Differences in Ion-RNA binding modes due to charge density variations explain the stability of RNA in monovalent salts" got accepted for publication at Science Advances. Congretulations Anja!

Weiwei will present his research as poster entitled "The refinement of Amber RNA force field via SAXS of Helix-Junction-Helix RNA" at the 2022 meeting of Computational Chemistry held by the Gordon Research Conferences (GRC). Congretulations and good luck Weiwei!

It is with great pleasure to hear that Marko have been selected as a Post-graduation Research Fellow! The fellowship will take place from September 2022 – August 2023, and Marko will study DNA condensation in collaboration with Prof. Rafael Gutierrez. Best of luck in your studies!

Weiwei, Nawavi and Diego's paper titled "Refining RNA force field with Small-Angle X-ray Scattering of Helix-Junction-Helix RNA" got accepted in Journal of Physical Chemistry Letters. Congratulations!

Weiwei and Anja's study on "Visualizing RNA Structures by SAXS-driven MD Simulations" accepted for publication in Frontiers in Bioinformatics. Congratulations!

We have two new members, Alice and Joann joined our group as undergradate research assistants. Warm welcome and best of luck in their research!

Weiwei attended the CECAM-HQ Workshop and presented a poster entitled "Insights of biomolecules embedded in SAXS/WAXS revealed by MD Simulations". Congratulations!

Weiwei's paper entitled Teaching the DNA double strand to assemble has been accepted for oral presentation at the UAE Graduate Students Research Conference 2021 (UAEGSRC 2021), which will be hosted virtually by Khalifa University. We are looking forward to his presentation on June 28, 2021. Conguratulations Weiwei!

We have three interns students in this summer, Jieon Mum, Marko Brnoviv and Marilena Shupac. Warm welcome!

Our collaborative work with Pollack Lab at Cornell University has given its first fruit! "The structural plasticity of nucleic acid duplexes revealed by WAXS and MD" is published at Science Advances. Thank you Weiwei and Yen for your hard work!

Weiwei's project entitled "Computer Simulations of Nucleic Acids and Interaction" won the 2nd place at 4th Annual Student Research Competition held by American University in the Emirates (AUESRC 2021)! Congratulations!

Nawavi's research with Trabolsi Lab on dye selectivity is published in JACS and is selected as the journal cover, Congutarulations to all who contributed to this project!

Weiwei's study in collaboration with Pollack Lab in Cornell University on the structural plasticity of double-stranded nucleic acids gets accepted to Science Advance. Congutarulations to all!

Dr. Serdal Kirmizialtin gave a talk on Modelling Structure and Interactions of Double-stranded Duplexes on International Webinar of Nucleic Acids and CRISPR.

Weiwei will present his project of nucleic acids structures and interactions in 4th Annual Student Research Competition held by American University in the Emirates (AUESRC 2021).

Weiwei and Dr. Anja attended the Biophysical Society Meeting and presented their current research. Congratulations!

Weiwei will present a poster entitled "Structural plasticity of double stranded Nucleic Acids" at ACS meeting 2021. Good luck Weiwei!

Our Capstone student, Yasmin's work on Computing the Kinetics of RNA Folding is accepted to ACS meeting for poster presentation. Good luck Yasmin!

Our Capstone student, Kris's projext on Collective Variable Determination using Machine Learning is accepted for ACS meeting poster session. Good luck!

Tina Monzavi joined our group as a PhD student. Welcome Tina!

Nour Alkhatib is going to New York for her second semester. Keep safe and best of luck in your studies!

Saifedeen is joining our lab as PhD student. Welcome and best of luck!

Dr. Anja Henning gave a talk about her current study of Mechanical Response of HIV-TAR RNA at NYUAD Chemistry Seminar Series. Congratulations!

Part of Adrienne Cheng’s capstone work, picked as the editorial choice, got accepted to Journal of Biological Chemistry. Congratulations!

Dr. Nawavi Naleem presented his work of P5abc Folding at Chemistry Seminar Series. Great talk!

Weiwei He and Dr. Anja Henning's abstracts got accepted to 65th Biophysical Society Annual Meeting. Congratulations!

Weiwei He delivered his oral presentation of Computer Simulations of Nucleic Acid Structure and Interactions at Chemistry Seminar Series held by Chemistry Department. Good job!

The collaborative project of Cytochrome c (Cyt c) with Prof. Dr. Serdal Kirmizialtin as first author published in J. Phys. Chem. B. Congratulations!

Our collaborative work with Prof. Xiangyun Qiu group at George Washington University on ion-mediated DNA interactions published in Nucleic Acids Research. Congratulations to Dr. Amit Srivastava and all who contributed to this project!

Nour Alkhatib joined our group as a PhD student. Welcome Nour and best of luck in your studies!

Krzysztof Warmuz and Yasmin Abdelghaffar joined our group as a capstone student. Welcome Kris and Yasmin. Best of luck in your studies!

Dr. Anja Henning joined our group as a post-doctoral associate. Welcome Anja!