2 papers
q-bio.BM2016
Utility of potential energy span as an approximate free energy proxy
Kai Wang, Lanru Liu, Pu Tian
Free energy calculation is critical in predictive tasks such as protein folding, docking and design. However, rigorous calculation of free energy change is prohibitively expensive…
physics.bio-ph2012
Entropically Dominant State of Proteins
Wenzhao Li, Kai Wang, Suyan Tian +1
Configurational entropy is an important factor in the free energy change of many macromolecular recognition and binding processes, and has been intensively studied. Despite great p…