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  • Currently displaying 6881 - 6900 of 30302 publications
Author(s)
Publication title
Journal Name
Publication year
Computing three-dimensional densities from force densities improves statistical efficiency
SW Coles, D Borgis, R Vuilleumier, B Rotenberg
The Journal of Chemical Physics
(2019)
151
Similarity transformation of the electronic Schrodinger equation via Jastrow factorization
AJ Cohen, H Luo, K Guther, W Dobrautz, DP Tew, A Alavi
Journal of Chemical Physics
(2019)
151
Organoiron- And Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes
MB Geeson, WJ Transue, CC Cummins
J Am Chem Soc
(2019)
141
Hyperuniformity and static structure factor of amorphous silicon in the infinite-wavelength limit
D Dahal, R Atta-Fynn, SR Elliott, P Biswas
Journal of Physics: Conference Series
(2019)
1252
Proteome-wide analysis of protein stability in E. coli using pulse proteolysis
L Zhao, G Vecchi, M Vendruscolo, R Koerner, M Hayer-Hartl, U Hartl
MOLECULAR & CELLULAR PROTEOMICS
(2019)
18
Reduced proteasome activity in the aging brain results in ribosome stoichiometry loss and aggregation
JM Kirkpatrick, EK Sacramento, M Mazzetto, S Di Sanzo, C Caterino, A Bartolome, M Sanguanini, N Papaevgeniou, M Lefaki, D Childs, E Terzibasi-Tozzini, N Romanov, M Baumgart, W Huber, N Chondrogianni, M Vendruscolo, A Cellerino, A Ori
MOLECULAR & CELLULAR PROTEOMICS
(2019)
18
Novel semiconducting iron-quinizarin metal-organic framework for application in supercapacitors*
S Agrawal, SM Clarke, IJ Vitorica-Yrezabal, C Liu, W Fang, PT Wood, D Wright
Molecular Physics
(2019)
117
Predicting Macrocyclic Molecular Recognition with Machine Learning
A Tabet, T Gebhart, G Wu, C Readman, M Pierson Smela, V Rana, C Baker, H Bulstrode, P Anikeeva, DH Rowitch, O Scherman
(2019)
Redox‐Guest‐Induced Multimode Photoluminescence Switch for Sequential Logic Gates in a Photoactive Coordination Cage
K Wu, Y-J Hou, Y-L Lu, Y-Z Fan, Y-N Fan, H-J Yu, K Li, M Pan, C-Y Su
Chemistry – A European Journal
(2019)
25
Clear-sky ultraviolet radiation modelling using output from the Chemistry Climate Model Initiative
K Lamy, T Portafaix, B Josse, C Brogniez, S Godin-Beekmann, H Bencherif, L Revell, H Akiyoshi, S Bekki, MI Hegglin, P Jöckel, O Kirner, B Liley, V Marecal, O Morgenstern, A Stenke, G Zeng, NL Abraham, AT Archibald, N Butchart, MP Chipperfield, G Di Genova, M Deushi, SS Dhomse, R-M Hu, D Kinnison, M Kotkamp, R McKenzie, M Michou, FM O'Connor, LD Oman, G Pitari, DA Plummer, JA Pyle, E Rozanov, D Saint-Martin, K Sudo, TY Tanaka, D Visioni, K Yoshida
Atmospheric Chemistry and Physics
(2019)
19
The Contribution of Backbone Electrostatic Repulsion to DNA Mechanical Properties is Length-Scale-Dependent
S Xiao, H Liang, DJ Wales
Journal of Physical Chemistry Letters
(2019)
10
Modular supramolecular dimerization of optically tunable extended aryl viologens
M Olesińska, G Wu, S Gómez-Coca, D Antón-García, I Szabó, E Rosta, OA Scherman
Chem Sci
(2019)
10
Elucidating Compound Mechanism of Action and Predicting Cytotoxicity Using Machine Learning Approaches, Taking Prediction Confidence into Account
G Drakakis, I Cortés-Ciriano, B Alexander-Dann, A Bender
Current protocols in chemical biology
(2019)
11
SLMP53-2 restoreswild-type-like function to mutant p53 through hsp70: Promising activity in hepatocellular carcinoma
S Gomes, B Bosco, JB Loureiro, H Ramos, L Raimundo, J Soares, N Nazareth, V Barcherini, L Domingues, C Oliveira, A Bisio, S Piazza, MR Bauer, JP Brás, MI Almeida, C Gomes, F Reis, AR Fersht, A Inga, MMM Santos, L Saraiva
Cancers
(2019)
11
A Practical Guide to the Simultaneous Determination of Protein Structure and Dynamics Using Metainference
T Löhr, C Camilloni, M Bonomi, M Vendruscolo
Methods Mol Biol
(2019)
2022
Concepts and Applications of Conformal Prediction in Computational Drug Discovery
I Cortés-Ciriano, A Bender
(2019)
Phase behavior of empirical potentials of titanium dioxide
A Reinhardt
Journal of Chemical Physics
(2019)
151
Particulate Photocatalysts for Light-Driven Water Splitting: Mechanisms, Challenges, and Design Strategies
Q Wang, K Domen
Chemical Reviews
(2019)
120
Ethynylbenziodoxolone Reactivity in Cysteine Bioconjugation
SR Adusumalli, GJL Bernardes
Chem
(2019)
5
Small molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer’s disease
GT Heller, FA Aprile, TCT Michaels, R Limbocker, M Perni, FS Ruggeri, B Mannini, T Löhr, M Bonomi, C Camilloni, A De Simone, IC Felli, R Pierattelli, TPJ Knowles, CM Dobson, M Vendruscolo
(2019)