Vyzkoušejte nový nástroj s podporou AI
Summon Research Assistant
BETA
Defining, Calculating, and Converging Observables of a Kinetic Transition Network
Swinburne, Thomas D, Wales, David J
Published in Journal of chemical theory and computation (14.04.2020)
Published in Journal of chemical theory and computation (14.04.2020)
Get full text
Journal Article
Exploring biomolecular energy landscapes
Joseph, Jerelle A, Röder, Konstantin, Chakraborty, Debayan, Mantell, Rosemary G, Wales, David J
Published in Chemical communications (Cambridge, England) (27.06.2017)
Published in Chemical communications (Cambridge, England) (27.06.2017)
Get full text
Journal Article
Observation time scale, free-energy landscapes, and molecular symmetry
Wales, David J., Salamon, Peter
Published in Proceedings of the National Academy of Sciences - PNAS (14.01.2014)
Published in Proceedings of the National Academy of Sciences - PNAS (14.01.2014)
Get full text
Journal Article
Intrinsically Disordered Energy Landscapes
Chebaro, Yassmine, Ballard, Andrew J., Chakraborty, Debayan, Wales, David J.
Published in Scientific reports (22.05.2015)
Published in Scientific reports (22.05.2015)
Get full text
Journal Article
A Kinetic Approach to the Sequence–Aggregation Relationship in Disease-Related Protein Assembly
Barz, Bogdan, Wales, David J, Strodel, Birgit
Published in The journal of physical chemistry. B (30.01.2014)
Published in The journal of physical chemistry. B (30.01.2014)
Get full text
Journal Article
Archetypal landscapes for deep neural networks
Verpoort, Philipp C., Lee, Alpha A., Wales, David J.
Published in Proceedings of the National Academy of Sciences - PNAS (08.09.2020)
Published in Proceedings of the National Academy of Sciences - PNAS (08.09.2020)
Get full text
Journal Article
Instanton calculations of tunneling splittings for water dimer and trimer
Richardson, Jeremy O., Althorpe, Stuart C., Wales, David J.
Published in The Journal of chemical physics (28.09.2011)
Published in The Journal of chemical physics (28.09.2011)
Get full text
Journal Article
Exact electronic states with shallow quantum circuits from global optimisation
Burton, Hugh G. A., Marti-Dafcik, Daniel, Tew, David P., Wales, David J.
Published in npj quantum information (27.07.2023)
Published in npj quantum information (27.07.2023)
Get full text
Journal Article
Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory
Cournia, Zoe, Allen, Toby W., Andricioaei, Ioan, Antonny, Bruno, Baum, Daniel, Brannigan, Grace, Buchete, Nicolae-Viorel, Deckman, Jason T., Delemotte, Lucie, del Val, Coral, Friedman, Ran, Gkeka, Paraskevi, Hege, Hans-Christian, Hénin, Jérôme, Kasimova, Marina A., Kolocouris, Antonios, Klein, Michael L., Khalid, Syma, Lemieux, M. Joanne, Lindow, Norbert, Roy, Mahua, Selent, Jana, Tarek, Mounir, Tofoleanu, Florentina, Vanni, Stefano, Urban, Sinisa, Wales, David J., Smith, Jeremy C., Bondar, Ana-Nicoleta
Published in The Journal of membrane biology (01.08.2015)
Published in The Journal of membrane biology (01.08.2015)
Get full text
Journal Article
Thermodynamics and Kinetics of Aggregation for the GNNQQNY Peptide
Strodel, Birgit, Whittleston, Chris S, Wales, David J
Published in Journal of the American Chemical Society (26.12.2007)
Published in Journal of the American Chemical Society (26.12.2007)
Get full text
Journal Article
Properties of kinetic transition networks for atomic clusters and glassy solids
Morgan, John W. R, Mehta, Dhagash, Wales, David J
Published in Physical chemistry chemical physics : PCCP (27.09.2017)
Published in Physical chemistry chemical physics : PCCP (27.09.2017)
Get full text
Journal Article
Superposition Enhanced Nested Sampling
Martiniani, Stefano, Stevenson, Jacob D., Wales, David J., Frenkel, Daan
Published in Physical review. X (01.08.2014)
Published in Physical review. X (01.08.2014)
Get full text
Journal Article
Proline provides site-specific flexibility for in vivo collagen
Chow, Wing Ying, Forman, Chris J., Bihan, Dominique, Puszkarska, Anna M., Rajan, Rakesh, Reid, David G., Slatter, David A., Colwell, Lucy J., Wales, David J., Farndale, Richard W., Duer, Melinda J.
Published in Scientific reports (14.09.2018)
Published in Scientific reports (14.09.2018)
Get full text
Journal Article
Mapping Structural Changes in Electrode Materials: Application of the Hybrid Eigenvector-Following Density Functional Theory (DFT) Method to Layered Li0.5MnO2
Seymour, Ieuan D, Chakraborty, Sudip, Middlemiss, Derek S, Wales, David J, Grey, Clare P
Published in Chemistry of materials (25.08.2015)
Published in Chemistry of materials (25.08.2015)
Get full text
Journal Article
Large-Scale Density Functional Theory Transition State Searching in Enzymes
Lever, Greg, Cole, Daniel J, Lonsdale, Richard, Ranaghan, Kara E, Wales, David J, Mulholland, Adrian J, Skylaris, Chris-Kriton, Payne, Mike C
Published in The journal of physical chemistry letters (06.11.2014)
Published in The journal of physical chemistry letters (06.11.2014)
Get full text
Journal Article