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  • Currently displaying 1 - 20 of 19036 publications
Stochastic comparison of machine learning approaches to calibration of mobile air quality monitors
E Esposito, S De Vito, M Salvato, G Fattoruso, V Bright, RL Jones, O Popoola
– Lecture Notes in Electrical Engineering
Stochastic surface walking reaction sampling for resolving heterogeneous catalytic reaction network: A revisit to the mechanism of water-gas shift reaction on Cu
XJ Zhang, C Shang, ZP Liu
– The Journal of Chemical Physics
Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switch
T Cragnolini, D Chakraborty, J Šponer, P Derreumaux, S Pasquali, DJ Wales
– The Journal of Chemical Physics
Preparing macromolecular systems on surfaces: general discussion.
D Amabilino, I Bâldea, O Barykina, J Batteas, P Besenius, P Beton, N Bilbao, M Buck, L Chi, S Clarke, G Costantini, J Davidson, P Davies, S De Feyter, Y Diaz Fernandez, D Dwivedi, K-H Ernst, A Flood, J Gautrot, A Jabbarzadeh, V Korolkov, A Kühnle, M Lackinger, C-M Pradier, T Rahman, R Raval, S Schwaminger, J Seibel, SL Tait, J Teyssandier, H Zuilhof
– Faraday Discuss
X-ray characterization of triphenylphosphine-gold(I) olefin π-complexes and the revision of their stability in solution
P Motloch, J Blahut, I Císařová, J Roithová
– Journal of Organometallic Chemistry
Thermodynamics of polypeptide supramolecular assembly in the short chain limit.
TO Mason, TCT Michaels, A Levin, CM Dobson, E Gazit, TPJ Knowles, AK Buell
– Journal of the American Chemical Society
Geometry Optimization with Machine Trained Topological Atoms.
F Zielinski, PI Maxwell, TL Fletcher, SJ Davie, N Di Pasquale, S Cardamone, MJL Mills, PLA Popelier
– Sci Rep
High quality-factor label-free single analyte detection with MEMS cantilevers integrated into microfluidic systems.
T Kartanas, V Ostanin, PK Challa, R Daly, J Charmet, TPJ Knowles
– Anal Chem
Mass spectrometry for fragment screening.
DS-H Chan, AJ Whitehouse, AG Coyne, C Abell
– Essays Biochem
Absolute Quantification of Amyloid Propagons by Digital Microfluidics.
M Pfammatter, M Andreasen, G Meisl, CG Taylor, J Adamcik, S Bolisetty, A Sanchez-Ferrer, D Klenerman, CM Dobson, R Mezzenga, TPJ Knowles, AA Aguzzi, S Hornemann
– Anal Chem
Towards the mode of action of Strobilanthes crispus through integrated computational and experimental analyses
KK Wong, LH Mervin, A Mazzolari, A Bender, NS Yaacob
– Journal of Plant Biochemistry and Biotechnology
Electrochemical performance of novel O3 layered Al,Mg doped titanates as anode materials for Na-ion batteries
S Pérez-Villar, E Castillo-Martínez, JM López del Amo, T Rojo, M Armand
– Materials Research Bulletin
Exploiting sparsity in free energy basin-hopping
KH Sutherland-Cash, RG Mantell, DJ Wales
– Chemical Physics Letters
Hierarchical biomolecular emulsions using 3-D microfluidics with uniform surface chemistry.
Z Toprakcioglu, A Levin, TPJ Knowles
– Biomacromolecules
Integrative structure modeling with the Integrative Modeling Platform.
B Webb, S Viswanath, M Bonomi, R Pellarin, CH Greenberg, D Saltzberg, A Sali
– Protein Sci
Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion.
CJC Scott, AJW Thom
– The Journal of Chemical Physics
Kinetic constraints on self-assembly into closed supramolecular structures
TCT Michaels, MMJ Bellaiche, MF Hagan, TPJ Knowles
– Scientific reports
Machine learning techniques for improving prediction of unplanned intensive care readmission
A Ercole, T Desautels, R Das, J Calvert, M Trivedi, C Summers, D Wales
Distinguishing relaxation dynamics in transiently crosslinked polymeric networks
CSY Tan, G Agmon, J Liu, D Hoogland, ER Janeček, EA Appel, OA Scherman
– Polymer Chemistry
Identifying the Structural Basis for the Increased Stability of the Solid Electrolyte Interphase Formed on Silicon with the Additive Fluoroethylene Carbonate.
Y Jin, N-JH Kneusels, PCMM Magusin, G Kim, E Castillo-Martínez, LE Marbella, RN Kerber, DJ Howe, S Paul, T Liu, CP Grey
– Journal of the American Chemical Society