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Currently displaying 4601 - 4620 of 29408 publications

Predicting Heterogeneous Ice Nucleation With a Data-Driven Approach

M Fitzner, P Pedevilla, A Michaelides

(2020)

(doi: 10.21203/rs.3.rs-40394/v1)

An accurate and transferable machine learning potential for carbon.

P Rowe, VL Deringer, P Gasparotto, G Csányi, A Michaelides

– The Journal of chemical physics

(2020)

153,

034702

(doi: 10.1063/5.0005084)

Improving double-ended transition state searches for soft-matter systems

K Röder, DJ Wales

– The Journal of chemical physics

(2020)

153,

034104

(doi: 10.1063/5.0011829)

Granular hydrogels for 3D bioprinting applications

W Cheng, J Zhang, J Liu, Z Yu

– View

(2020)

20200060

(doi: 10.1002/viw.20200060)

A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death

D Scott, N Francis-Newton, M Marsh, A Coyne, G Fischer, T Moschetti, A Bayly, T Sharpe, K Haas, L Barber, C Valenzano, R Srinivasan, D Huggins, M Ehebauer, A Esposito, L Pellegrini, T Perrior, G McKenzie, T Blundell, M Hyvönen, J Skidmore, A Venkitaraman, C Abell

(2020)

(doi: 10.1101/2020.07.15.200709)

Hydrothermal polymerization towards fully biobased polyazomethines

G Li, K Yu, J Noordijk, MHM Meeusen-Wierts, B Gebben, PAM Oude Lohuis, AHM Schotman, KV Bernaerts

– Chem Commun (Camb)

(2020)

56,

9194

(doi: 10.1039/d0cc03026k)

Applying support-vector machine learning algorithms toward predicting host-guest interactions with cucurbit[7]uril

A Tabet, T Gebhart, G Wu, C Readman, M Pierson Smela, VK Rana, C Baker, H Bulstrode, P Anikeeva, DH Rowitch, OA Scherman

– Phys Chem Chem Phys

(2020)

22,

14976

(doi: 10.1039/c9cp05800a)

Nanoporous silica pre-concentrator for vapour-phase DMNB, a detection taggant for explosives

C Day, N Rowe, T Hutter

– ACS Omega

(2020)

18073

(doi: 10.1021/acsomega.0c01615)

Real-Time Highly-Sensitive Protein Quantification Through On-Chip Chemiluminescence

HK Chiu, T Kartanas, S R. A. Devenish, K Saar, C Mouritsen Luxhøj, T Knowles

(2020)

(doi: 10.26434/chemrxiv.12646376.v1)

Genome-wide DNA Methylation Signatures Are Determined by DNMT3A/B Sequence Preferences.

S-Q Mao, SM Cuesta, D Tannahill, S Balasubramanian

– Biochemistry

(2020)

59,

2541

(doi: 10.1021/acs.biochem.0c00339)

Quantitative Supramolecular Hetero-dimerization for Efficient Energy Transfer

G Wu, Z Huang, OA Scherman

– Angewandte Chemie (International ed. in English)

(2020)

59,

15963

(doi: 10.1002/anie.202006530)

A well-behaved theoretical framework for ReaxFF reactive force fields.

D Furman, DJ Wales

– J Chem Phys

(2020)

153,

021102

(doi: 10.1063/5.0013906)

Efficient and exact sampling of transition path ensembles on Markovian networks.

DJ Sharpe, DJ Wales

– The Journal of chemical physics

(2020)

153,

024121

(doi: 10.1063/5.0012128)

Phonon traces in glassy vibrations

NS Shcheblanov, ME Povarnitsyn, JD Wiles, SR Elliott, SN Taraskin

– Physical Review B

(2020)

102,

024202

(doi: 10.1103/PhysRevB.102.024202)

Quantitative Supramolecular Heterodimerization for Efficient Energy Transfer

G Wu, Z Huang, OA Scherman

– Angewandte Chemie

(2020)

132,

16097

(doi: 10.1002/ange.202006530)

Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase from Mycobacterium tuberculosis.

JA Ribeiro, A Hammer, GA Libreros-Zúñiga, SM Chavez-Pacheco, P Tyrakis, GS de Oliveira, T Kirkman, J El Bakali, SA Rocco, ML Sforça, R Parise-Filho, AG Coyne, TL Blundell, C Abell, MVB Dias

– ACS Infect Dis

(2020)

2192

(doi: 10.1021/acsinfecdis.0c00263)

Beyond Carbon: Enantioselective and Enantiospecific Reactions with Catalytically Generated Boryl- And Silylcopper Intermediates

W Xue, M Oestreich

– ACS Cent Sci

(2020)

1070

(doi: 10.1021/acscentsci.0c00738)