Mark P Waller

Publication Activity (10 Years)

Years Active: 2017-2020
Publications (10 Years): 6

Top Topics

Convolutional Neural Network

Molecular Dynamics

Computed Tomography

Crystal Structure

Top Venues

Acta crystallographica. Section D, Structural biology

Journal of chemical information and modeling

Journal of computational chemistry

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Lum Wang, Holger Kruse, Oleg V Sobolev, Nigel W Moriarty, Mark P Waller, Pavel V Afonine, Malgorzata Biczysko
Real-space quantum-based refinement for cryo-EM: Q|R#3. Acta crystallographica. Section D, Structural biology 76 (Pt 12) (2020)
Min Zheng, Malgorzata Biczysko, Yanting Xu, Nigel W Moriarty, Holger Kruse, Alexandre Urzhumtsev, Mark P Waller, Pavel V Afonine
Including crystallographic symmetry in quantum-based refinement: Q|R#2. Acta crystallographica. Section D, Structural biology 76 (Pt 1) (2020)
Aditya Chattopadhyay, Min Zheng, Mark P Waller, U Deva Priyakumar
A Probabilistic Framework for Constructing Temporal Relations in Replica Exchange Molecular Trajectories. Journal of chemical theory and computation 14 (7) (2018)
Min Zheng, Mark P Waller
Yoink: An interaction-based partitioning API. Journal of computational chemistry 39 (13) (2018)
Suzanne McAnanama-Brereton, Mark P Waller
Rational Density Functional Selection Using Game Theory. Journal of chemical information and modeling 58 (1) (2017)
Min Zheng, Nigel W Moriarty, Yanting Xu, Jeffrey R Reimers, Pavel V Afonine, Mark P Waller
Solving the scalability issue in quantum-based refinement: Q|R#1. Acta crystallographica. Section D, Structural biology 73 (Pt 12) (2017)