collaborators

1 paper

physics.comp-ph2021

Boosting the Conformational Sampling by Combining Replica Exchange with Solute Tempering and Well-Sliced Metadynamics

Anji Babu Kapakayala, Nisanth N. Nair

Methods that combine collective variable (CV) based enhanced sampling and global tempering approaches are used in speeding-up the conformational sampling and free energy calculatio…