Patrick K Quoika
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Explore the profile of Patrick K Quoika including associated specialties, affiliations and a list of published articles.
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22
Citations
121
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Recent Articles
1.
Weber J, Pedri L, Peters L, Quoika P, Dinu D, Liedl K, et al.
Mol Pharm
. 2025 Feb;
22(3):1348-1364.
PMID: 39898560
Given that the amphiphilicity of polysorbates represents a key factor in the protection of proteins from particle formation, the loss of this property through degradative processes is a significant concern....
2.
Riccabona J, Spoendlin F, Fischer A, Loeffler J, Quoika P, Jenkins T, et al.
Structure
. 2024 Sep;
32(11):2147-2159.e2.
PMID: 39332396
Recent breakthroughs in protein structure prediction have enhanced the precision and speed at which protein configurations can be determined. Additionally, molecular dynamics (MD) simulations serve as a crucial tool for...
3.
Walter L, Quoika P, Zacharias M
J Chem Inf Model
. 2024 Apr;
64(8):3465-3476.
PMID: 38602938
Many biological functions are mediated by large complexes formed by multiple proteins and other cellular macromolecules. Recent progress in experimental structure determination, as well as in integrative modeling and protein...
4.
Quoika P, Zacharias M
J Phys Chem B
. 2024 Mar;
128(10):2457-2468.
PMID: 38427971
Molecular dynamics (MD) simulations are widely used to investigate molecular systems at atomic resolution including biomolecular structures, drug-receptor interactions, and novel materials. Frequently, MD simulations are performed in an aqueous...
5.
Fischer A, Tichy A, Kokot J, Hoerschinger V, Wild R, Riccabona J, et al.
J Chem Theory Comput
. 2024 Feb;
20(5):2321-2333.
PMID: 38373307
Protein folding is a fascinating, not fully understood phenomenon in biology. Molecular dynamics (MD) simulations are an invaluable tool to study conformational changes in atomistic detail, including folding and unfolding...
6.
Pomarici N, Waibl F, Quoika P, Bujotzek A, Georges G, Fernandez-Quintero M, et al.
J Comput Aided Mol Des
. 2023 Mar;
37(4):201-215.
PMID: 36918473
Therapeutic antibodies should not only recognize antigens specifically, but also need to be free from developability issues, such as poor stability. Thus, the mechanistic understanding and characterization of stability are...
7.
Fernandez-Quintero M, Kokot J, Waibl F, Fischer A, Quoika P, Deane C, et al.
MAbs
. 2023 Feb;
15(1):2175319.
PMID: 36775843
Advances in structural biology and the exponential increase in the amount of high-quality experimental structural data available in the Protein Data Bank has motivated numerous studies to tackle the grand...
8.
Pomarici N, Fernandez-Quintero M, Quoika P, Waibl F, Bujotzek A, Georges G, et al.
Protein Eng Des Sel
. 2022 Dec;
35.
PMID: 36468666
A new format of therapeutic proteins is bispecific antibodies, in which two different heavy chains heterodimerize to obtain two different binding sites. Therefore, it is crucial to understand and optimize...
9.
Linke M, Quoika P, Bramas B, Kofinger J, Hummer G
J Chem Phys
. 2022 Dec;
157(20):204802.
PMID: 36456243
The interior of living cells is densely filled with proteins and their complexes, which perform multitudes of biological functions. We use coarse-grained simulations to reach the system sizes and time...
10.
Dinu D, Bartl P, Quoika P, Podewitz M, Liedl K, Grothe H, et al.
J Phys Chem A
. 2022 May;
126(19):2966-2975.
PMID: 35533210
We performed matrix-isolation infrared (MI-IR) spectroscopy of carbon dioxide monomers, CO, and dimers, (CO), trapped in neon and in air. On the basis of vibration configuration interaction (VCI) calculations accounting...