Mark P Waller

6PUBLICATIONS
6CO-AUTHORS
Lasers and quantum electronicsTheoretical quantum chemistryStructural biology (incl. macromolecular modelling)Formal methods for softwareStatistical mechanics in chemistry
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Publications (6)

|Dec 02, 2020
Real-space quantum-based refinement for cryo-EM: Q|R#3.

Lum Wang, Holger Kruse, Oleg V Sobolev

|Jan 08, 2020
Including crystallographic symmetry in quantum-based refinement: Q|R#2.

Min Zheng, Malgorzata Biczysko, Yanting Xu

|May 24, 2018
A Probabilistic Framework for Constructing Temporal Relations in Replica Exchange Molecular Trajectories.

Aditya Chattopadhyay, Min Zheng, Mark P Waller

|Jan 10, 2018
Yoink: An interaction-based partitioning API.

Min Zheng, Mark P Waller

|Dec 20, 2017
Rational Density Functional Selection Using Game Theory.

Suzanne McAnanama-Brereton, Mark P Waller

|Dec 05, 2017
Solving the scalability issue in quantum-based refinement: Q|R#1.

Min Zheng, Nigel W Moriarty, Yanting Xu

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Frequent Collaborators

3 joint publications

Nigel W Moriarty

2 joint publications

Malgorzata Biczysko

2 joint publications

Holger Kruse

2 joint publications

Pavel V Afonine