Quantifying electronic effects in QM and QM/MM biomolecular modeling with the Fukui function

by Qi, Helena Wen, Karelina, Maria, Kulik, Heather Janine
Published 2020

The Protein's Role in Substrate Positioning and Reactivity for Biosynthetic Enzyme Complexes: The Case of SyrB2/SyrB1

by Mehmood, Rimsha, Qi, Helena Wen, Steeves, Adam H., Kulik, Heather Janine
Published 2020

Ab Initio Screening Approach for the Discovery of Lignin Polymer Breaking Pathways

by Liu, Fang, Mar, Brendan D., Qi, Helena Wen, Kulik, Heather Janine
Published 2016

Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation

by Yang, Zhongyue, Mehmood, Rimsha, Wang, Mengyi, Qi, Helena Wen, Steeves, Adam H., Kulik, Heather Janine
Published 2019

Protection of tissue physicochemical properties using polyfunctional crosslinkers

by Park, Young-Gyun, Sohn, Chang Ho, Chen, Ritchie, McCue, Margaret Grace, Yun, Dae Hee, Drummond, Gabrielle, Ku, Taeyun, Evans, Nicholas B, Oak, Hayeon Caitlyn, Trieu, Wendy, Choi, Heejin, Jin, Xin, Lilascharoen, Varoth, Wang, Ji, Truttmann, Matthias C, Qi, Helena Wen, Ploegh, Hidde L, Golub, Todd R, Chen, Shih-Chi, Frosch, Matthew P, Kulik, Heather Janine, Lim, Byung Kook, Chung, Kwanghun
Published 2020