Anders Hogner
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Explore the profile of Anders Hogner including associated specialties, affiliations and a list of published articles.
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21
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272
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Recent Articles
1.
Li F, Ackloo S, Arrowsmith C, Ban F, Barden C, Beck H, et al.
J Chem Inf Model
. 2024 Nov;
64(22):8521-8536.
PMID: 39499532
The CACHE challenges are a series of prospective benchmarking exercises to evaluate progress in the field of computational hit-finding. Here we report the results of the inaugural CACHE challenge in...
2.
La Sala G, Pfleger C, Kack H, Wissler L, Nevin P, Bohm K, et al.
Chem Sci
. 2023 Jun;
14(25):7057-7067.
PMID: 37389247
Understanding allosteric regulation in biomolecules is of great interest to pharmaceutical research and computational methods emerged during the last decades to characterize allosteric coupling. However, the prediction of allosteric sites...
3.
Ackloo S, Al-Awar R, Amaro R, Arrowsmith C, Azevedo H, Batey R, et al.
Nat Rev Chem
. 2022 Jul;
6(4):287-295.
PMID: 35783295
One aspirational goal of computational chemistry is to predict potent and drug-like binders for any protein, such that only those that bind are synthesized. In this Roadmap, we describe the...
4.
OMahony G, Petersen J, Ek M, Rae R, Johansson C, Jianming L, et al.
ACS Med Chem Lett
. 2022 Apr;
13(4):681-686.
PMID: 35450368
Thiazolidinedione PPARγ agonists such as rosiglitazone and pioglitazone are effective antidiabetic drugs, but side effects have limited their use. It has been posited that their positive antidiabetic effects are mainly...
5.
La Sala G, Gunnarsson A, Edman K, Tyrchan C, Hogner A, Frolov A
J Chem Inf Model
. 2021 Jun;
61(7):3667-3680.
PMID: 34156843
The glucocorticoid receptor (GR) is a nuclear receptor that controls critical biological processes by regulating the transcription of specific genes. There is a known allosteric cross-talk between the ligand and...
6.
Cipcigan F, Smith P, Crain J, Hogner A, De Maria L, Llinas A, et al.
J Chem Inf Model
. 2020 Dec;
61(1):263-269.
PMID: 33350828
Cyclic peptides have the potential to bind to challenging targets, which are undruggable with small molecules, but their application is limited by low membrane permeability. Here, using a series of...
7.
Gilabert J, Carmona O, Hogner A, Guallar V
J Chem Inf Model
. 2020 Jul;
60(11):5529-5539.
PMID: 32644807
We present a multistep protocol, combining Monte Carlo and molecular dynamics simulations, for the estimation of absolute binding free energies, one of the most significant challenges in computer-aided drug design....
8.
Gilabert J, Grebner C, Soler D, Lecina D, Municoy M, Carmona O, et al.
J Chem Theory Comput
. 2019 Oct;
15(11):6243-6253.
PMID: 31589430
In this study, we present a fully automatic platform based on our Monte Carlo algorithm, the Protein Energy Landscape Exploration method (PELE), for the estimation of absolute protein-ligand binding free...
9.
Granberg K, Yuan Z, Lindmark B, Edman K, Kajanus J, Hogner A, et al.
J Med Chem
. 2019 Jan;
62(3):1385-1406.
PMID: 30596500
The mechanism-based risk for hyperkalemia has limited the use of mineralocorticoid receptor antagonists (MRAs) like eplerenone in cardio-renal diseases. Here, we describe the structure and property-driven lead generation and optimization,...
10.
Fechner U, de Graaf C, Torda A, Gussregen S, Evers A, Matter H, et al.
J Cheminform
. 2017 Dec;
8(Suppl 1):18.
PMID: 29270804
No abstract available.