Jens Glaser
Overview
Explore the profile of Jens Glaser including associated specialties, affiliations and a list of published articles.
Author names and details appear as published. Due to indexing inconsistencies, multiple individuals may share a name, and a single author may have variations. MedLuna displays this data as publicly available, without modification or verification
Snapshot
Snapshot
Articles
15
Citations
147
Followers
0
Related Specialties
Related Specialties
Top 10 Co-Authors
Top 10 Co-Authors
Published In
Affiliations
Affiliations
Soon will be listed here.
Recent Articles
1.
Blanchard A, Gounley J, Bhowmik D, Chandra Shekar M, Lyngaas I, Gao S, et al.
Int J High Perform Comput Appl
. 2024 Apr;
36(5-6):587-602.
PMID: 38603308
The COVID-19 pandemic highlights the need for computational tools to automate and accelerate drug design for novel protein targets. We leverage deep learning language models to generate and score drug...
2.
Blanchard A, Bhowmik D, Fox Z, Gounley J, Glaser J, Akpa B, et al.
J Cheminform
. 2023 Jun;
15(1):59.
PMID: 37291633
The vast size of chemical space necessitates computational approaches to automate and accelerate the design of molecular sequences to guide experimental efforts for drug discovery. Genetic algorithms provide a useful...
3.
Hsu D, Davidson R, Sedova A, Glaser J
J Chem Inf Model
. 2023 May;
63(11):3438-3447.
PMID: 37204814
A critical step in structure-based drug discovery is predicting whether and how a candidate molecule binds to a model of a therapeutic target. However, substantial protein side chain movements prevent...
4.
Rogers D, Agarwal R, Vermaas J, Smith M, Rajeshwar R, Cooper C, et al.
Sci Data
. 2023 Mar;
10(1):173.
PMID: 36977690
This dataset contains ligand conformations and docking scores for 1.4 billion molecules docked against 6 structural targets from SARS-CoV2, representing 5 unique proteins: MPro, NSP15, PLPro, RDRP, and the Spike...
5.
Vermaas J, Sedova A, Baker M, Boehm S, Rogers D, Larkin J, et al.
Comput Sci Eng
. 2022 Aug;
23(1):7-16.
PMID: 35939280
The urgent search for drugs to combat SARS-CoV-2 has included the use of supercomputers. The use of general-purpose graphical processing units (GPUs), massive parallelism, and new software for high-performance computing...
6.
Glaser J, Sedova A, Galanie S, Kneller D, Davidson R, Maradzike E, et al.
ACS Pharmacol Transl Sci
. 2022 Apr;
5(4):255-265.
PMID: 35434531
Inhibition of the SARS-CoV-2 main protease (M) is a major focus of drug discovery efforts against COVID-19. Here we report a hit expansion of non-covalent inhibitors of M. Starting from...
7.
Gao F, Glaser J, Glotzer S
Soft Matter
. 2021 Jul;
17(31):7376-7383.
PMID: 34304260
Shape guides colloidal nanoparticles to form complex assemblies, but its role in defining interfaces in biomolecular complexes is less clear. In this work, we isolate the role of shape in...
8.
Simon A, Zhou Y, Ramasubramani V, Glaser J, Pothukuchy A, Gollihar J, et al.
Nat Chem
. 2019 Jan;
11(3):204-212.
PMID: 30643229
Symmetrical protein oligomers are ubiquitous in biological systems and perform key structural and regulatory functions. However, there are few methods for constructing such oligomers. Here we have engineered completely synthetic,...
9.
Hubner G, Glaser J, Seel C, Vogtle F
Angew Chem Int Ed Engl
. 2018 May;
38(3):383-386.
PMID: 29711647
An electrophile caught like a mouse in a trap! An anionic stopper-wheel complex acts as a supramolecular nucleophile in an almost quantitative synthesis of a phenyl ether rotaxane. The electrophilic...
10.
Karas A, Glaser J, Glotzer S
Soft Matter
. 2016 May;
12(23):5199-204.
PMID: 27194463
Depletion interactions arise from entropic forces, and their ability to induce aggregation and even ordering of colloidal particles through self-assembly is well established, especially for spherical colloids. We vary the...