Niraj Verma

Quantum mechanical assessment of protein–ligand hydrogen bond strength patterns: insights from semiempirical tight-binding and local vibrational mode theory

Papaya Leaf Extracts as Potential Dengue Treatment: An In-Silico Study

Allosteric control of ACE2 peptidase domain dynamics

Generative adversarial networks for transition state geometry prediction

Deep learning-based ligand design using shared latent implicit fingerprints from collaborative filtering

Halogen Bonding Involving I2 and d8 Transition-Metal Pincer Complexes

Systematic detection and characterization of hydrogen bonding in proteins via local vibrational modes

Predicting potential SARS-COV-2 drugs—In depth drug database screening using deep neural network framework SSnet, classical virtual screening and docking