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Niraj Verma
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Year
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
532019
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
452021
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
422021
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
412020
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
402019
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
372021
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
342023
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
332022
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
292020
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
292018
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
192021
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
192021
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
102022
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
92021
Correlation between molecular acidity (pKa) and vibrational spectroscopy
N Verma, Y Tao, BL Marcial, E Kraka
Journal of Molecular Modeling 25, 1-15, 2019
92019
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
32022
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
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