Ken Dill

2020

Sergei Kotelnikov, Andrey Alekseenko, Cong Liu, Mikhail Ignatov, Dzmitry Padhorny, Emiliano Brini, Mark Lukin, Evangelos Coutsias, Ken A. Dill, and Dima Kozakov (2020): Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4, Journal of Computer-Aided Molecular Design, Springer Nature Switzerland AG, Vol 34, Num 2, pp179-189

2019

James C. Robertson, Roy Nassar, Cong Liu, Emiliano Brini, Ken A. Dill, and Alberto Perez (2019): NMR-assisted protein structure prediction with MELD x MD, Proteins: Structure, Function, and Bioinformatics, John Wiley and Sons, Inc., Vol 87, Num 12, pp1333-1340
Emiliano Brini, Dima Kozakov, and Ken A. Dill (2019): Predicting Protein Dimer Structures Using MELD x MD, Journal of Chemical Theory and Computation, American Chemical Society, Vol 15, Num 5, pp3381-3389

2018

Alberto Perez, Florian Sittel, Gerhard Stock, and Ken Dill (2018): MELD-Path Efficiently Computes Conformational Transitions, Including Multiple and Diverse Paths, Journal of Chemical Theory and Computation, American Chemical Society, Vol 14, Num 4, pp2109-2116
James C. Robertson, Alberto Perez, and Ken A. Dill (2018): MELD x MD Folds Nonthreadables, Giving Native Structures and Populations, Journal of Chemical Theory and Computation, American Chemical Society, Vol 14, Num 12, pp6734-6740

2017

Joseph A. Morrone, Alberto Perez, Qiaolin Deng, Sookhee N. Ha, M. Katharine Holloway, Tomi K. Sawyer, Bradley S. Sherborne, Frank K. Brown, and Ken A. Dill (2017): Molecular Simulations Identify Binding Poses and Approximate Affinities of Stapled alpha-Helical Peptides to MDM2 and MDMX, Journal of Chemical Theory and Computation, American Chemical Society, Vol 13, Num 2, pp863-869
Joseph A. Morrone, Alberto Perez, Justin MacCallum, and Ken A. Dill (2017): Computed Binding of Peptides to Proteins with MELD-Accelerated Molecular Dynamics, Journal of Chemical Theory and Computation, American Chemical Society, Vol 13, Num 2, pp870-876

2016

A. Perez, J. A. Morrone, E. Brini, J. L. MacCallum, and K. A. Dill (2016): Blind Protein Structure Prediction Using Accelerated Free-Energy Simulations, Science Advances, American Association for the Advancement of Science, Vol 2, Num 11, ppe1601274-e1601274

2019

Ken Dill, Alberto Perez (2019): Petascale Integrative Approaches to Protein Structure Prediction, 2019 Blue Waters Annual Report, pp254-255

2018

Ken Dill, Alberto Perez (2018): Combining Physics and Supercomputers to Predict Protein Structures from Sequences, 2018 Blue Waters Annual Report, pp218-219

2017

Ken Dill (2017): Predicting protein structures with physical petascale molecular simulations, 2017 Blue Waters Annual Report, pp208-209

2016

Ken Dill (2016): Predicting protein structures with physical molecular simulations, 2016 Blue Waters Annual Report, pp206-207