Artikel mit Open-Access-Mandaten - Chin YongWeitere Informationen
Nicht verfügbar: 1
Descriptions and implementations of DL_F notation: a natural chemical expression system of atom types for molecular simulations
CW Yong
Journal of Chemical Information and Modeling 56 (8), 1405-1409, 2016
Mandate: UK Engineering and Physical Sciences Research Council
Verfügbar: 13
Understanding gas capacity, guest selectivity, and diffusion in porous liquids
RL Greenaway, D Holden, EGB Eden, A Stephenson, CW Yong, ...
Chemical Science 8 (4), 2640-2651, 2017
Mandate: UK Engineering and Physical Sciences Research Council, European Commission
Enzyme catalysis captured using multiple structures from one crystal at varying temperatures
S Horrell, D Kekilli, K Sen, RL Owen, FSN Dworkowski, SV Antonyuk, ...
IUCrJ 5 (3), 283-292, 2018
Mandate: UK Biotechnology and Biological Sciences Research Council, UK Science and …
Multiscale QM/MM modelling of catalytic systems with ChemShell
Y Lu, K Sen, C Yong, DSD Gunn, JA Purton, J Guan, A Desmoutier, ...
Physical Chemistry Chemical Physics 25 (33), 21816-21835, 2023
Mandate: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Study of interactions between polymer nanoparticles and cell membranes at atomistic levels
CW Yong
Philosophical Transactions of the Royal Society B: Biological Sciences 370 …, 2015
Mandate: UK Engineering and Physical Sciences Research Council
DL_ANALYSER notation for atomic interactions (DANAI): a natural annotation system for molecular interactions, using ethanoic acid liquid as a test case
CW Yong, IT Todorov
Molecules 23 (1), 36, 2017
Mandate: UK Engineering and Physical Sciences Research Council
Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase
K Sen, S Horrell, D Kekilli, CW Yong, TW Keal, H Atakisi, DW Moreau, ...
IUCrJ 4 (4), 495-505, 2017
Mandate: US National Science Foundation, US National Institutes of Health, UK …
The integrated DL_POLY/DL_FIELD/DL_ANALYSER software platform for molecular dynamics simulations for exploration of the synthonic interactions in saturated benzoic acid/hexane …
I Rosbottom, CW Yong, DL Geatches, RB Hammond, IT Todorov, ...
Molecular Simulation 47 (2-3), 257-272, 2021
Mandate: UK Engineering and Physical Sciences Research Council
Molecular simulation of hydrogen storage and transport in cellulose
MR Stalker, J Grant, CW Yong, LA Ohene-Yeboah, TJ Mays, SC Parker
Molecular Simulation 47 (2-3), 170-179, 2021
Mandate: UK Engineering and Physical Sciences Research Council
The structural pathway from its solvated molecular state to the solution crystallisation of the α-and β-polymorphic forms of para amino benzoic acid
I Rosbottom, TD Turner, CY Ma, RB Hammond, KJ Roberts, CW Yong, ...
Faraday Discussions 235, 467-489, 2022
Mandate: UK Engineering and Physical Sciences Research Council
Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems
J Guan, Y Lu, K Sen, J Abdul Nasir, AW Desmoutier, Q Hou, X Zhang, ...
Philosophical Transactions of the Royal Society A 381 (2250), 20220234, 2023
Mandate: UK Engineering and Physical Sciences Research Council, UK Medical Research …
A QM/MM Study of Nitrite Binding Modes in a Three-Domain Heme-Cu Nitrite Reductase
K Sen, MA Hough, RW Strange, CW Yong, TW Keal
Molecules 23 (11), 2997, 2018
Mandate: UK Biotechnology and Biological Sciences Research Council
QM/MM simulations of protein crystal reactivity guided by msox crystallography: A copper nitrite reductase case study
K Sen, MA Hough, RW Strange, C Yong, TW Keal
The Journal of Physical Chemistry B 125 (32), 9102-9114, 2021
Mandate: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Double crossed? Structural and computational studies of an unusual crosslinked heme in Methylococcus capsulatus cytochrome P460
HE Pfalzgraf, AG Rao, K Sen, HR Adams, M Edwards, Y Lu, C Yong, ...
bioRxiv, 2024.12. 21.628999, 2024
Mandate: UK Biotechnology and Biological Sciences Research Council
Angaben zur Publikation und Finanzierung werden automatisch von einem Computerprogramm ermittelt