Abstract: In this article, we extend the movable type (MT) sampling method to molecular conformational searches (MT-CS) on the free energy surface of the molecule…
State College, PA, [September 18, 2015] – The SBGrid Consortium and QuantumBio have entered into an agreement that will allow for the distribution of QuantumBio’s…
QuantumBio staff will attend the ACS-Boston conference and be available for discussion. Details concerning talks, posters, meetings, and booth will follow.
Title: “Where’s the Proton? How Quantum Theory and Crystallographic Data Are Combined to Study These Important – Yet Elusive – Species” Speaker: Lance M Westerhoff,…
Title: 3128-Pos, BoardB558: Accurate determination of tautomeric/protonation states in Quantum-Mechanic (QM) driven macromolecular crystallographic refinement Presenter: Oleg Y. Borbulevych and Lance M. Westerhoff Location: Baltimore…
