Niraj Verma

Quantum Mechanical Assessment of Protein–Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode Theory

Ayesh Madushanka, Renaldo T. Moura, Niraj Verma et al. · International Journal of Molecular Sciences · 2023 · 91 citations · Full text

Molecular Biology, Computational Chemistry, Generalized Badger +21

Generative adversarial networks for transition state geometry prediction

Małgorzata Z. Makoś, Niraj Verma, Eric C. Larson et al. · The Journal of Chemical Physics · 2021 · 48 citations

Transition State, Engineering, Machine Learning +13

SSnet: A Deep Learning Approach for Protein-Ligand Interaction Prediction

Niraj Verma, Xingming Qu, Francesco Trozzi et al. · International Journal of Molecular Sciences · 2021 · 46 citations · Full text

Systems Biology, Engineering, Machine Learning +14

A Continuum from Halogen Bonds to Covalent Bonds: Where Do λ3 Iodanes Fit?

Seth Yannacone, Vytor Oliveira, Niraj Verma et al. · Inorganics · 2019 · 44 citations · Full text

Materials Science, Covalent Bonds, Investigated Iodine Compounds +14

A Critical Evaluation of Vibrational Stark Effect (VSE) Probes with the Local Vibrational Mode Theory

Niraj Verma, Wenli Zou, Xia Chen et al. · Sensors · 2020 · 43 citations · Full text

Engineering, Computational Chemistry, Chemistry +20