Yuan-Ping Pang

Use of multiple picosecond high-mass molecular dynamics simulations to predict crystallographic B-factors of folded globular proteins

This paper predicts crystallographic B-factors of proteins using multiple picosecond high-mass molecular dynamics simulations, achieving lower root mean square deviations than conventional methods.

FF12MC: A revised AMBER forcefield and new protein simulation protocol

FF12MC improves protein simulation by enabling accurate folding and unfolding of miniproteins and simulating configuration flipping in BPTI.