3 papers
q-bio.BM2026
Recent advances in modeling and simulation of biological phenomena in crowded and cellular environments
Apoorva Mathur, Vanessa Regina Miranda, Ariane Nunes-Alves
While experiments and computer simulations to study biological phenomena are usually performed in diluted in vitro conditions, such phenomena happen inside the cell, an environment…
q-bio.BM2025
Molecular glues stabilize water-mediated hydrogen bonds in ternary complexes
Apoorva Mathur, Mariona Alegre Canela, Max von Graevenitz +2
By stabilizing weak and transient protein-protein interactions (PPIs), molecular glues address the challenge of targeting proteins previously considered undruggable. Rapamycin and…
q-bio.BM2022
Recent advances in computational methods for studying ligand binding kinetics
Farzin Sohraby, Ariane Nunes-Alves
Binding kinetic parameters can be correlated with drug efficacy, which led to the development of various computational methods for predicting binding kinetic rates and gaining insi…