M J Harvey
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Explore the profile of M J Harvey including associated specialties, affiliations and a list of published articles.
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83
Citations
1028
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Recent Articles
1.
Harvey M, Sperlich P, Clough T, Kelliher F, McGeough K, Martin R, et al.
J Environ Qual
. 2020 Oct;
49(5):1110-1125.
PMID: 33016464
Certain aspects in the collection, handling, storage, and subsequent analysis of discrete air samples from non-steady-state flux chambers are critical to generating accurate and unbiased estimates of nitrous oxide (N...
2.
Harvey M, Denton B, Prosser L, Hutton D
Vaccine
. 2018 Jul;
36(41):6237-6247.
PMID: 30031663
The optimal strategy for the vaccinating against herpes zoster (HZ) vaccine remains unknown. Cost-effectiveness analyses provide insight to the most cost-effective age groups but results vary across studies. The optimal...
3.
Paul S, Mukherjee A, McAllister T, Harvey M, Clayton B, Turner P
J Hosp Infect
. 2017 Jun;
96(4):360-365.
PMID: 28559125
Background: Bronchiolitis is the most common reason for hospitalization in young children. In addition to respiratory syncytial virus (RSV), other viruses have been increasingly implicated. Guidance on testing has also...
4.
Doerr S, Harvey M, Noe F, De Fabritiis G
J Chem Theory Comput
. 2016 Mar;
12(4):1845-52.
PMID: 26949976
Recent advances in molecular simulations have allowed scientists to investigate slower biological processes than ever before. Together with these advances came an explosion of data that has transformed a traditionally...
5.
Harvey M, De Fabritiis G
J Chem Theory Comput
. 2015 Dec;
5(9):2371-7.
PMID: 26616618
The smooth particle mesh Ewald summation method is widely used to efficiently compute long-range electrostatic force terms in molecular dynamics simulations, and there has been considerable work in developing optimized...
6.
Harvey M, Giupponi G, De Fabritiis G
J Chem Theory Comput
. 2015 Nov;
5(6):1632-9.
PMID: 26609855
The high arithmetic performance and intrinsic parallelism of recent graphical processing units (GPUs) can offer a technological edge for molecular dynamics simulations. ACEMD is a production-class biomolecular dynamics (MD) engine...
7.
Harvey M, De Fabritiis G
J Chem Inf Model
. 2015 Apr;
55(5):909-14.
PMID: 25849093
We present AceCloud, an on-demand service for molecular dynamics simulations. AceCloud is designed to facilitate the secure execution of large ensembles of simulations on an external cloud computing service (currently...
8.
Lauro G, Ferruz N, Fulle S, Harvey M, Finn P, De Fabritiis G
J Chem Inf Model
. 2014 Jul;
54(8):2185-9.
PMID: 25046765
Fast and accurate identification of active compounds is essential for effective use of virtual screening workflows. Here, we have compared the ligand-ranking efficiency of the linear interaction energy (LIE) method...
9.
Bisignano P, Doerr S, Harvey M, Favia A, Cavalli A, De Fabritiis G
J Chem Inf Model
. 2014 Jan;
54(2):362-6.
PMID: 24444037
Small molecules used in fragment-based drug discovery form multiple, promiscuous binding complexes difficult to capture experimentally. Here, we identify such binding poses and their associated energetics and kinetics using molecular...
10.
Buch I, Harvey M, Giorgino T, Anderson D, De Fabritiis G
J Chem Inf Model
. 2010 Mar;
50(3):397-403.
PMID: 20199097
Although molecular dynamics simulation methods are useful in the modeling of macromolecular systems, they remain computationally expensive, with production work requiring costly high-performance computing (HPC) resources. We review recent innovations...