Henry van den Bedem
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Explore the profile of Henry van den Bedem including associated specialties, affiliations and a list of published articles.
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137
Citations
2056
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Recent Articles
1.
P de Oliveira S, Pedawi A, Kenyon V, van den Bedem H
J Med Chem
. 2024 Oct;
67(21):19417-19427.
PMID: 39471377
Commercially available, synthesis-on-demand virtual libraries contain upward of trillions of readily synthesizable compounds for drug discovery campaigns. These libraries are a critical resource for rapid cycles of in silico discovery,...
2.
Flowers J, Echols N, Correy G, Jaishankar P, Togo T, Renslo A, et al.
bioRxiv
. 2024 Oct;
PMID: 39386683
Small molecule ligands exhibit a diverse range of conformations in solution. Upon binding to a target protein, this conformational diversity is generally reduced. However, ligands can retain some degree of...
3.
Wankowicz S, Ravikumar A, Sharma S, Riley B, Raju A, Hogan D, et al.
Elife
. 2024 Jun;
12.
PMID: 38904665
In their folded state, biomolecules exchange between multiple conformational states that are crucial for their function. Traditional structural biology methods, such as X-ray crystallography and cryogenic electron microscopy (cryo-EM), produce...
4.
5.
Wankowicz S, Ravikumar A, Sharma S, Riley B, Raju A, Flowers J, et al.
bioRxiv
. 2023 Jul;
PMID: 37425870
In their folded state, biomolecules exchange between multiple conformational states that are crucial for their function. Traditional structural biology methods, such as X-ray crystallography and cryogenic electron microscopy (cryo-EM), produce...
6.
Chen X, Leyendecker S, van den Bedem H
Proteins
. 2023 Jul;
91(11):1496-1509.
PMID: 37408369
The Severe Acute Respiratory Syndrome CoronaVirus 2 (SARS-CoV-2) is the virus responsible for the COVID-19 pandemic. COVID-19 continues to cause millions of deaths globally in part due to immune-evading mutations....
7.
Meller A, De Oliveira S, Davtyan A, Abramyan T, Bowman G, van den Bedem H
Front Mol Biosci
. 2023 May;
10:1171143.
PMID: 37143823
Virtual screening is a widely used tool for drug discovery, but its predictive power can vary dramatically depending on how much structural data is available. In the best case, crystal...
8.
Meller A, De Oliveira S, Davtyan A, Abramyan T, Bowman G, van den Bedem H
bioRxiv
. 2023 Mar;
PMID: 36993233
Virtual screening is a widely used tool for drug discovery, but its predictive power can vary dramatically depending on how much structural data is available. In the best case, crystal...
9.
Chen X, Leyendecker S, van den Bedem H
J Chem Inf Model
. 2022 May;
62(11):2869-2879.
PMID: 35594568
The three-dimensional conformations of a protein influence its function and select for the ligands it can interact with. The total free energy change during protein-ligand complex formation includes enthalphic and...
10.
Wankowicz S, de Oliveira S, Hogan D, van den Bedem H, Fraser J
Elife
. 2022 Mar;
11.
PMID: 35312477
While protein conformational heterogeneity plays an important role in many aspects of biological function, including ligand binding, its impact has been difficult to quantify. Macromolecular X-ray diffraction is commonly interpreted...