| A Continuum from Halogen Bonds to Covalent Bonds: Where Do λ3 Iodanes Fit? S Yannacone, V Oliveira, N Verma, E Kraka Inorganics 7 (4), 47, 2019 | 53 | 2019 |
| Predicting potential SARS-COV-2 drugs—In depth drug database screening using deep neural network framework SSnet, classical virtual screening and docking N Karki, N Verma, F Trozzi, P Tao, E Kraka, B Zoltowski International Journal of Molecular Sciences 22 (4), 1573, 2021 | 45 | 2021 |
| Ssnet: A deep learning approach for protein-ligand interaction prediction N Verma, X Qu, F Trozzi, M Elsaied, N Karki, Y Tao, B Zoltowski, ... International journal of molecular sciences 22 (3), 1392, 2021 | 42 | 2021 |
| A critical evaluation of vibrational Stark effect (VSE) probes with the local vibrational mode theory N Verma, Y Tao, W Zou, X Chen, X Chen, M Freindorf, E Kraka Sensors 20 (8), 2358, 2020 | 41 | 2020 |
| In situ measure of intrinsic bond strength in crystalline structures: Local vibrational mode theory for periodic systems Y Tao, W Zou, D Sethio, N Verma, Y Qiu, C Tian, D Cremer, E Kraka Journal of Chemical Theory and Computation 15 (3), 1761-1776, 2019 | 40 | 2019 |
| Generative adversarial networks for transition state geometry prediction MZ Makoś, N Verma, EC Larson, M Freindorf, E Kraka The Journal of Chemical Physics 155 (2), 2021 | 37 | 2021 |
| Quantum mechanical assessment of protein–ligand hydrogen bond strength patterns: insights from semiempirical tight-binding and local vibrational mode theory A Madushanka, RT Moura Jr, N Verma, E Kraka International Journal of Molecular Sciences 24 (7), 6311, 2023 | 34 | 2023 |
| Local Vibrational Mode Analysis (LModeA. Computational and Theoretical Chemistry Group (CATCO) W Zou, Y Tao, M Freindorf, MZ Makos, N Verma, D Cremer, E Kraka Southern Methodist University: Dallas, TX, USA, 2022 | 33 | 2022 |
| Local Vibrational Mode Analysis (LModeA) W Zou, Y Tao, M Freindorf, MZ Makos, N Verma, E Kraka Computational and Theoretical Chemistry Group (CATCO), Southern Methodist …, 2020 | 29 | 2020 |
| Recovering intrinsic fragmental vibrations using the generalized subsystem vibrational analysis Y Tao, C Tian, N Verma, W Zou, C Wang, D Cremer, E Kraka Journal of Chemical Theory and Computation 14 (5), 2558-2569, 2018 | 29 | 2018 |
| Halogen Bonding Involving I2 and d8 Transition-Metal Pincer Complexes M Freindorf, S Yannacone, V Oliveira, N Verma, E Kraka Crystals 11 (4), 373, 2021 | 19 | 2021 |
| Systematic detection and characterization of hydrogen bonding in proteins via local vibrational modes N Verma, Y Tao, E Kraka The Journal of Physical Chemistry B 125 (10), 2551-2565, 2021 | 19 | 2021 |
| Papaya leaf extracts as potential dengue treatment: an in-silico study A Madushanka, N Verma, M Freindorf, E Kraka International journal of molecular sciences 23 (20), 12310, 2022 | 10 | 2022 |
| Deep learning-based ligand design using shared latent implicit fingerprints from collaborative filtering R Srinivas, N Verma, E Kraka, EC Larson Journal of Chemical Information and Modeling 61 (5), 2159-2174, 2021 | 9 | 2021 |
| Correlation between molecular acidity (pKa) and vibrational spectroscopy N Verma, Y Tao, BL Marcial, E Kraka Journal of Molecular Modeling 25, 1-15, 2019 | 9 | 2019 |
| Allosteric control of ACE2 peptidase domain dynamics F Trozzi, N Karki, Z Song, N Verma, E Kraka, BD Zoltowski, P Tao Organic & biomolecular chemistry 20 (17), 3605-3618, 2022 | 3 | 2022 |
| Local Vibrational Mode Analysis (LModeA. Computational and Theoretical Chemistry Group (CATCO) W Zou, Y Tao, M Freindorf, MZ Makos, N Verma, D Cremer, E Kraka Southern Methodist University: Dallas, TX, USA, 2022 | | 2022 |
| Application of Artificial Intelligence and Machine Learning in Chemistry N Verma | | 2021 |
