| The role of the active site flap in streptavidin/biotin complex formation N Bansal, Z Zheng, LF Song, J Pei, KM Merz Jr Journal of the American Chemical Society 140 (16), 5434-5446, 2018 | 22 | 2018 |
| On the fly estimation of host–guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge N Bansal, Z Zheng, DS Cerutti, KM Merz Journal of computer-aided molecular design 31, 47-60, 2017 | 20 | 2017 |
| Detailed potential of mean force studies on host–guest systems from the SAMPL6 challenge LF Song, N Bansal, Z Zheng, KM Merz Journal of computer-aided molecular design 32, 1013-1026, 2018 | 19 | 2018 |
| Understanding allosteric interactions in hMLKL protein that modulate necroptosis and its inhibition N Bansal, S Sciabola, G Bhisetti Scientific Reports 9 (1), 16853, 2019 | 17 | 2019 |
| Microscopic Hydration Properties of the Aβ1–42 Peptide Monomer and the Globular Protein Ubiquitin: A Comparative Molecular Dynamics Study JC Jose, P Khatua, N Bansal, N Sengupta, S Bandyopadhyay The Journal of Physical Chemistry B 118 (40), 11591-11604, 2014 | 17 | 2014 |
| Generation of pairwise potentials using multidimensional data mining Z Zheng, J Pei, N Bansal, H Liu, LF Song, KM Merz Jr Journal of Chemical Theory and Computation 14 (10), 5045-5067, 2018 | 13 | 2018 |
| Incorporation of side chain flexibility into protein binding pockets using MTflex N Bansal, Z Zheng, KM Merz Jr Bioorganic & Medicinal Chemistry 24 (20), 4978-4987, 2016 | 11 | 2016 |
| Discovery of small-molecule positive allosteric modulators of Parkin E3 ligase E Shlevkov, P Murugan, D Montagna, E Stefan, A Hadzipasic, JS Harvey, ... IScience 25 (1), 2022 | 9 | 2022 |
| Mechanism of Ubiquitin Ligase Activation of Parkin by a Small Molecule Molecular Glue K Gehring, V Sauvé, E Stefan, N Croteau, T Goiran, R Fakih, N Bansal, ... | | 2024 |
| Machine Learning Methods as a Cost-Effective Alternative to Physics-Based Binding Free Energy Calculations N Bansal, Y Wang, S Sciabola Molecules 29 (4), 830, 2024 | | 2024 |
| Sarcomatoid Hepatocellular Carcinoma: A Case Report and Imaging Findings P Kumar, N Bansal Ann Clin Case Rep 6, 1921, 2021 | | 2021 |
| Binding free energy calculations on host-guest systems L Song, N Bansal, Z Zheng, K Merz ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Fast, accurate X-ray density-driven ligand docking on the free energy surface using the MovableType method coupled with QM/MM X-ray refinement L Westerhoff, O Borbulevych, Z Zheng, N Bansal, K Merz ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Conformational Sampling of Binding Pocket and Predicting Binding Free Energies N Bansal Michigan State University. Chemistry, 2018 | | 2018 |
| MTRec-flex: A novel method for incorporating flexibility in the receptor's binding pocket N Bansal, Z Zheng, K Merz ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| Scalable, fragment-based ensemble generator for docking studies, structure prediction, and condensed-phase simulations D Cerutti, Z Zheng, N Bansal, K Merz ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| Further development of the movable-type energy sampling method and its application in the biomolecular systems Z Zheng, D Cerutti, N Bansal, K Merz ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| Fast, accurate X-ray density-driven ligand docking on the free energy surface using the MovableType method coupled with Phenix/DivCon LM Westerhoff, O Borbulevych, Z Zheng, N Bansal, RI Martin, KM Merz Jr Foundations of Crystallography 31, 47, 2016 | | 2016 |
Zheng ZhengProfessor of Chemistry at Wuhan University of TechonologyVerified email at whut.edu.cn
