BEORHN: Bacterial Enzymatic Oxidation of Reactive Hydroxylamine in Nitrification via Combined Structural Biology and Molecular Simulation
BEORHN: Bacterial Enzymatic Oxidation of Reactive Hydroxylamine in Nitrification via Combined Structural Biology and Molecular Simulation
批准号:
BB/V016768/1
负责人:
Adrian Mulholland
金额:
$23.11万
依托单位:
依托单位国家:
英国
项目类别:
Research Grant
财政年份:
2022
资助国家:
英国
项目状态:
未结题
起止时间:
2022 至 --
中文摘要
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英文摘要
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期刊论文(10)
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Dynamical nonequilibrium molecular dynamics simulations identify allosteric sites and positions associated with drug resistance in the SARS-CoV-2 main protease
动态非平衡分子动力学模拟识别 SARS-CoV-2 主要蛋白酶中与耐药性相关的变构位点和位置
DOI:
10.1101/2022.12.10.519730
发表时间:
2022
期刊:
影响因子:
--
作者:
[Chan H]
通讯作者:
Chan H
DOI:
10.1093/abt/tbad024
发表时间:
2023-11-10
期刊:
ANTIBODY THERAPEUTICS
影响因子:
--
作者:
[Buzas, Dora, Bunzel, Adrian H., Berger, Imre]
通讯作者:
Berger, Imre
DOI:
10.1021/jacsau.3c00185
发表时间:
2023-06-26
期刊:
JACS AU
影响因子:
8
作者:
[Chan, H T Henry, Oliveira, A Sofia F, Schofield, Christopher J, Mulholland, Adrian J, Duarte, Fernanda]
通讯作者:
Duarte, Fernanda
DOI:
10.1101/2023.03.17.533092
发表时间:
2023-03
期刊:
bioRxiv
影响因子:
--
作者:
[Dora Buzas;H. Bunzel;Oskar Staufer;E. Milodowski;Grace Edmonds;beatriz Vidana Matteo;C. Schaffitzel;Sathish K. N. Yadav;K. Gupta;Charlotte Fletcher;M. Williamson;Alexandra Harrison;Ufuk Borucu;Julien Capin;Ore Francis;Georgia Balchin;Sophie Hall;Mirella Vivoli Vega;F. Durbesson;R. Vincentelli;Joe Roe;L. Wooldridge;R. Burt;Ross J L Anderson;A. Mulholland;J. Hare;Mick Bailey;A. Davidson;A. Finn;David Morgan;Jamie F S Mann;Joachim P. Spatz;F. Garzoni;J. Bufton;I. Berger]
通讯作者:
Dora Buzas;H. Bunzel;Oskar Staufer;E. Milodowski;Grace Edmonds;beatriz Vidana Matteo;C. Schaffitzel;Sathish K. N. Yadav;K. Gupta;Charlotte Fletcher;M. Williamson;Alexandra Harrison;Ufuk Borucu;Julien Capin;Ore Francis;Georgia Balchin;Sophie Hall;Mirella Vivoli Vega;F. Durbesson;R. Vincentelli;Joe Roe;L. Wooldridge;R. Burt;Ross J L Anderson;A. Mulholland;J. Hare;Mick Bailey;A. Davidson;A. Finn;David Morgan;Jamie F S Mann;Joachim P. Spatz;F. Garzoni;J. Bufton;I. Berger
DOI:
10.1101/2022.12.20.521207
发表时间:
2022
期刊:
影响因子:
--
作者:
[Bunzel H]
通讯作者:
Bunzel H
共 6 条
Predictive multiscale free energy simulations of hybrid transition metal catalysts
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批准号:EP/W013738/1
-
项目类别:Research Grant
-
资助金额:$83.71万
-
财政年份:2022
-
负责人:Adrian Mulholland
-
依托单位:
Commercialisation of VR for biomolecular design
-
批准号:BB/T017066/1
-
项目类别:Research Grant
-
资助金额:$24.69万
-
财政年份:2020
-
负责人:Adrian Mulholland
-
依托单位:
CCP-BioSim: Biomolecular Simulation at the Life Sciences Interface
-
批准号:EP/M022609/1
-
项目类别:Research Grant
-
资助金额:$30.03万
-
财政年份:2015
-
负责人:Adrian Mulholland
-
依托单位:
Predicting drug-target binding kinetics through multiscale simulations
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批准号:EP/M015378/1
-
项目类别:Research Grant
-
资助金额:$28.72万
-
财政年份:2015
-
负责人:Adrian Mulholland
-
依托单位:
BristolBridge: Bridging the Gaps between the Engineering and Physical Sciences and Antimicrobial Resistance
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批准号:EP/M027546/1
-
项目类别:Research Grant
-
资助金额:$75.45万
-
财政年份:2015
-
负责人:Adrian Mulholland
-
依托单位:
Computational tools for enzyme engineering: bridging the gap between enzymologists and expert simulation
-
批准号:BB/L018756/1
-
项目类别:Research Grant
-
资助金额:$18.61万
-
财政年份:2014
-
负责人:Adrian Mulholland
-
依托单位:
The UK High-End Computing Consortium for Biomolecular Simulation
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批准号:EP/L000253/1
-
项目类别:Research Grant
-
资助金额:$36.76万
-
财政年份:2013
-
负责人:Adrian Mulholland
-
依托单位:
Inquire: Software for real-time analysis of binding
-
批准号:BB/K016601/1
-
项目类别:Research Grant
-
资助金额:$13.47万
-
财政年份:2013
-
负责人:Adrian Mulholland
-
依托单位:
CCP-BioSim: Biomolecular simulation at the life sciences interface
-
批准号:EP/J010588/1
-
项目类别:Research Grant
-
资助金额:$36.64万
-
财政年份:2011
-
负责人:Adrian Mulholland
-
依托单位:
Adaptive Multi-Resolution Massively-Multicore Hybrid Dynamics
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批准号:EP/I030395/1
-
项目类别:Research Grant
-
资助金额:$50.74万
-
财政年份:2011
-
负责人:Adrian Mulholland
-
依托单位:
Combined experimental and computational investigations of a nucleophilic displacement reaction with a hydride leaving group
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批准号:EP/G002843/1
-
项目类别:Research Grant
-
资助金额:$35.87万
-
财政年份:2009
-
负责人:Adrian Mulholland
-
依托单位:
Multiscale Ensemble Computing for Modelling Biological Catalysts
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批准号:EP/G042853/1
-
项目类别:Research Grant
-
资助金额:$9.84万
-
财政年份:2009
-
负责人:Adrian Mulholland
-
依托单位:
Computational biochemistry: predictive modelling for biology and medicine
-
批准号:EP/G007705/1
-
项目类别:Fellowship
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资助金额:$144.88万
-
财政年份:2008
-
负责人:Adrian Mulholland
-
依托单位:
Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study
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批准号:EP/E022197/1
-
项目类别:Research Grant
-
资助金额:$7.56万
-
财政年份:2006
-
负责人:Adrian Mulholland
-
依托单位:
海外基金