Jan Brezovsky
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Explore the profile of Jan Brezovsky including associated specialties, affiliations and a list of published articles.
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55
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2094
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Recent Articles
1.
Nikulenkov F, Carbain B, Biswas R, Havel S, Prochazkova J, Sisakova A, et al.
Eur J Med Chem
. 2025 Jan;
285:117226.
PMID: 39793442
MRE11 nuclease is a central player in signaling and processing DNA damage, and in resolving stalled replication forks. Here, we describe the identification and characterization of new MRE11 inhibitors MU147...
2.
Thirunavukarasu A, Szleper K, Tanriver G, Marchlewski I, Mitusinska K, Gora A, et al.
J Chem Inf Model
. 2024 Dec;
65(1):326-337.
PMID: 39680044
The utilization of tunnels and water transport within enzymes is crucial for their catalytic function as water molecules can stabilize bound substrates and help with unbinding processes of products and...
3.
Sethi A, Agrawal N, Brezovsky J
Comput Struct Biotechnol J
. 2024 Nov;
23:3946-3954.
PMID: 39582894
Protein hydration plays a vital role in many biological functions, and molecular dynamics simulations are frequently used to study it. However, the accuracy of these simulations is often sensitive to...
4.
Mandal N, Surpeta B, Brezovsky J
J Chem Inf Model
. 2024 Aug;
64(16):6623-6635.
PMID: 39143923
Tunnels are structural conduits in biomolecules responsible for transporting chemical compounds and solvent molecules from the active site. They have been shown to be present in a wide variety of...
5.
Sarkar D, Surpeta B, Brezovsky J
J Chem Theory Comput
. 2024 Jul;
20(14):5807-5819.
PMID: 38978395
Because most proteins have buried active sites, protein tunnels or channels play a crucial role in the transport of small molecules into buried cavities for enzymatic catalysis. Tunnels can critically...
6.
Sequeiros-Borja C, Surpeta B, Thirunavukarasu A, Dongmo Foumthuim C, Marchlewski I, Brezovsky J
J Chem Inf Model
. 2024 Apr;
64(15):6014-6025.
PMID: 38669675
An aqueous environment is vital for life as we know it, and water is essential for nearly all biochemical processes at the molecular level. Proteins utilize water molecules in various...
7.
Pakula K, Sequeiros-Borja C, Biala-Leonhard W, Pawela A, Banasiak J, Bailly A, et al.
Cell Mol Life Sci
. 2023 Mar;
80(4):105.
PMID: 36952129
ABCG46 of the legume Medicago truncatula is an ABC-type transporter responsible for highly selective translocation of the phenylpropanoids, 4-coumarate, and liquiritigenin, over the plasma membrane. To investigate molecular determinants of...
8.
Sequeiros-Borja C, Surpeta B, Marchlewski I, Brezovsky J
MethodsX
. 2022 Dec;
10:101968.
PMID: 36582480
Nowadays, molecular dynamics (MD) simulations of proteins with hundreds of thousands of snapshots are commonly produced using modern GPUs. However, due to the abundance of data, analyzing transport tunnels present...
9.
Brezovsky J, Thirunavukarasu A, Surpeta B, Sequeiros-Borja C, Mandal N, Sarkar D, et al.
Bioinformatics
. 2021 Dec;
38(6):1752-1753.
PMID: 34971366
Summary: Information regarding pathways through voids in biomolecules and their roles in ligand transport is critical to our understanding of the function of many biomolecules. Recently, the advent of high-throughput...
10.
Sequeiros-Borja C, Surpeta B, Brezovsky J
Brief Bioinform
. 2020 Aug;
22(3).
PMID: 32743637
Progress in technology and algorithms throughout the past decade has transformed the field of protein design and engineering. Computational approaches have become well-engrained in the processes of tailoring proteins for...