| Taming the topology of calix [4] arene-based 2D-covalent organic frameworks: interpenetrated vs noninterpenetrated frameworks and their selective removal of cationic dyes B Garai, D Shetty, T Skorjanc, F Gándara, N Naleem, S Varghese, ... Journal of the American Chemical Society 143 (9), 3407-3415, 2021 | 81 | 2021 |
| A Kirkwood-Buff derived force field for alkaline earth halide salts N Naleem, N Bentenitis, PE Smith The Journal of Chemical Physics 148 (22), 2018 | 26 | 2018 |
| Kirkwood–Buff-derived force field for peptides and proteins: philosophy and development of KBFF20 EA Ploetz, S Karunaweera, N Bentenitis, F Chen, S Dai, MB Gee, Y Jiao, ... Journal of Chemical Theory and Computation 17 (5), 2964-2990, 2021 | 14 | 2021 |
| Covalent organic framework based on azacalix [4] arene for the efficient capture of dialysis waste products T Skorjanc, D Shetty, F Gándara, S Pascal, N Naleem, S Abubakar, L Ali, ... ACS applied materials & interfaces 14 (34), 39293-39298, 2022 | 13 | 2022 |
| Refining the RNA force field with small-angle X-ray scattering of helix–junction–helix RNA W He, N Naleem, D Kleiman, S Kirmizialtin The Journal of Physical Chemistry Letters 13 (15), 3400-3408, 2022 | 11 | 2022 |
| Gaussian and non-Gaussian fluctuations in pure classical fluids N Naleem, EA Ploetz, PE Smith The Journal of Chemical Physics 146 (9), 2017 | 7 | 2017 |
| An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitions N Naleem, CRA Abreu, K Warmuz, M Tong, S Kirmizialtin, ME Tuckerman The Journal of Chemical Physics 159 (3), 2023 | 5 | 2023 |
| How Does MOF-303 Achieve High Water Uptake and Facile Release Capacity? N Alkhatib, N Naleem, S Kirmizialtin The Journal of Physical Chemistry C, 2024 | | 2024 |
| Exploring the Ion-Mediated RNA Interactions of a Helix-Junction-Helix RNA Model through Well-Tempered Metadynamics Simulations DE Kleiman, N Naleem, S Kirmizialtin Biophysical Journal 118 (3), 68a-69a, 2020 | | 2020 |
| Kirkwood Buff derived force field for some biologically important oxo anions N Naleem, P Smith ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Kirkwood-Buff derived force field for aqueous alkali earth metal halides N Naleem, N Bentenitis, P Smith ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| Application of Machine Learning to Identify the Energetic Factors Governing Host-Guest Interactions in Computer Simulations N Naleem, S Kirmizialtin SEVENTH INTERNATIONAL CONFERENCE ON MULTIFUNCTIONAL, HYBRID & NANOMATERIALS …, 0 | | |
| Molecular Simulations on Atmospheric Water Harvesting Using Adsorbents N Naleem, S Kirmizialtin, N Alkhatib SEVENTH INTERNATIONAL CONFERENCE ON MULTIFUNCTIONAL, HYBRID & NANOMATERIALS …, 0 | | |
