QuantumBio staff will attend the ACS-San Deigo conference and be available for discussion.
The following talks will be presented by QuantumBio staff:
Talk: COMP 120 – Addressing the elephant in the room: The impact of experimental protein structural quality on our ability to model protein function
Location: Room 25C – San Diego Convention Center
Date/Time: Mon, Mar 14 at 2:50pm – 3:10pm
Authors: Oleg Borbulevych, Roger Martin, Lance M. Westerhoff
Talk: COMP 205 – Synergistic use of QM/MM x-ray crystallography and time-averaged MD analysis: Protonation-state modeling
Location: Room 25C – San Diego Convention Center
Date/Time: Tue, Mar 15 at 4:25pm – 4:45pm
Authors: Oleg Borbulevych, Camilo Velez Vega, Lance M. Westerhoff, Daniel Mckay, Jose Duca
The following talks and posters will be presented by collaborators at Michigan State University. Please be sure to stop by:
Talk: MPPG 36: Thermodynamics of virus capsid assembly
Location: Room 5A – San Diego Convention Center
Date/Time: Mon, Mar 14 at 1:00pm – 1:30pm
Authors: Kenneth Merz
Talk: COMP 672: Further development of the movable-type energy sampling method and its application in the biomolecular systems
Location: Room 26B – San Diego Convention Center
Date/Time: Thu, Mar 17 at 1:30pm – 1:50pm
Authors: Zheng Zheng, David Cerutti, Nupur Bansal, Kenneth Merz
Poster: COMP 281 – Scalable, fragment-based ensemble generator for docking studies, structure prediction, and condensed-phase simulations
Location: Hall E – San Diego Convention Center
Date/Time: Tue, Mar 15 at 6:00pm – 8:00pm
Authors: David Cerutti, Zheng Zheng, Nupur Bansal, Kenneth Merz
Poster: COMP 303 – New approach to calculate the complexation-induced 1H NMR chemical shift changes in proteins
Location: Hall E – San Diego Convention Center
Date/Time: Tue, Mar 15 at 6:00pm – 8:00pm
Authors: Zhuoqin Yu, Pengfei Li, Kenneth Merz
Poster: COMP 304 – MTRec-flex: A novel method for incorporating flexibility in the receptor’s binding pocket
Location: Hall E – San Diego Convention Center
Date/Time: Tue, Mar 15 at 6:00pm – 8:00pm
Authors: Nupur Bansal, Zheng Zheng, Kenneth Merz