Non-Markovian Dynamic Models Identify Non-Canonical KRAS-VHL Encounter Complex Conformations for Novel PROTAC Design

• Yunrui Qiu,
• Rafal P. Wiewiora,
• Jesus A. Izaguirre,
• Huafeng Xu,
• Woody Sherman,
• Weiping Tang,
• Xuhui Huang

Affiliations

Yunrui Qiu

Department of Chemistry, Theoretical Chemistry Institute, University of Wisconsin-Madison, Madison, Wisconsin, United States

Rafal P. Wiewiora

Psivant Therapeutics, Boston, Massachusetts, United States

Jesus A. Izaguirre

Atommap Corporation, NY, New York, United States

Huafeng Xu

Atommap Corporation, NY, New York, United States

Woody Sherman

Psivant Therapeutics, Boston, Massachusetts, United States

Weiping Tang

Lachman Institute for Pharmaceutical Development, School of Pharmacy, University of Wisconsin-Madison, Madison, Wisconsin, United States

Xuhui Huang

Department of Chemistry, Theoretical Chemistry Institute, University of Wisconsin-Madison, Madison, Wisconsin, United States