4 papers
A simple neural network implementation of generalized solvation free energy for assessment of protein structural models
Shiyang Long, Pu Tian
Rapid and accurate assessment of protein structural models is essential for protein structure prediction and design. Great progress has been made in this regard, especially by rece…
Shot Range and High Order Correlations in Proteins
Shiyang Long, Pu Tian
The main chain dihedral angles play an important role to decide the protein conformation. The native states of a protein can be regard as an ensemble of a lot of similar conformati…
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…
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…