Quoika PK - Search Results

1

Structural mechanism of Fab domain dissociation as a measure of interface stability.

Pomarici ND, Waibl F, Quoika PK, Bujotzek A, Georges G, Fernández-Quintero ML, Liedl KR. Pomarici ND, et al. Among authors: quoika pk. J Comput Aided Mol Des. 2023 Apr;37(4):201-215. doi: 10.1007/s10822-023-00501-9. Epub 2023 Mar 15. J Comput Aided Mol Des. 2023. PMID: 36918473 Free PMC article.

2

Coil-Globule Transition Thermodynamics of Poly(N-isopropylacrylamide).

Podewitz M, Wang Y, Quoika PK, Loeffler JR, Schauperl M, Liedl KR. Podewitz M, et al. Among authors: quoika pk. J Phys Chem B. 2019 Oct 17;123(41):8838-8847. doi: 10.1021/acs.jpcb.9b06125. Epub 2019 Oct 7. J Phys Chem B. 2019. PMID: 31545046

3

Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments.

Kamenik AS, Kraml J, Hofer F, Waibl F, Quoika PK, Kahler U, Schauperl M, Liedl KR. Kamenik AS, et al. Among authors: quoika pk. J Chem Inf Model. 2020 Jul 27;60(7):3508-3517. doi: 10.1021/acs.jcim.0c00280. Epub 2020 Jun 29. J Chem Inf Model. 2020. PMID: 32551643 Free PMC article.

4

Thermosensitive Hydration of Four Acrylamide-Based Polymers in Coil and Globule Conformations.

Quoika PK, Podewitz M, Wang Y, Kamenik AS, Loeffler JR, Liedl KR. Quoika PK, et al. J Phys Chem B. 2020 Oct 29;124(43):9745-9756. doi: 10.1021/acs.jpcb.0c07232. Epub 2020 Oct 15. J Phys Chem B. 2020. PMID: 33054215 Free PMC article.

5

Surprisingly Fast Interface and Elbow Angle Dynamics of Antigen-Binding Fragments.

Fernández-Quintero ML, Kroell KB, Heiss MC, Loeffler JR, Quoika PK, Waibl F, Bujotzek A, Moessner E, Georges G, Liedl KR. Fernández-Quintero ML, et al. Among authors: quoika pk. Front Mol Biosci. 2020 Nov 24;7:609088. doi: 10.3389/fmolb.2020.609088. eCollection 2020. Front Mol Biosci. 2020. PMID: 33330636 Free PMC article.

6

X-Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy.

Kraml J, Hofer F, Quoika PK, Kamenik AS, Liedl KR. Kraml J, et al. Among authors: quoika pk. J Chem Inf Model. 2021 Apr 26;61(4):1533-1538. doi: 10.1021/acs.jcim.0c01375. Epub 2021 Mar 13. J Chem Inf Model. 2021. PMID: 33719418 Free PMC article.

7

pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules.

Ramos MC, Quoika PK, Horta VAC, Dias DM, Costa EG, do Amaral JLM, Ribeiro LM, Liedl KR, Horta BAC. Ramos MC, et al. Among authors: quoika pk. J Chem Inf Model. 2021 Apr 26;61(4):1539-1544. doi: 10.1021/acs.jcim.0c01438. Epub 2021 Apr 5. J Chem Inf Model. 2021. PMID: 33819017

8

Conformational Shifts of Stacked Heteroaromatics: Vacuum vs. Water Studied by Machine Learning.

Loeffler JR, Fernández-Quintero ML, Waibl F, Quoika PK, Hofer F, Schauperl M, Liedl KR. Loeffler JR, et al. Among authors: quoika pk. Front Chem. 2021 Mar 26;9:641610. doi: 10.3389/fchem.2021.641610. eCollection 2021. Front Chem. 2021. PMID: 33842433 Free PMC article.

9

Implementation of the Freely Jointed Chain Model to Assess Kinetics and Thermodynamics of Thermosensitive Coil-Globule Transition by Markov States.

Quoika PK, Fernández-Quintero ML, Podewitz M, Hofer F, Liedl KR. Quoika PK, et al. J Phys Chem B. 2021 May 13;125(18):4898-4909. doi: 10.1021/acs.jpcb.1c01946. Epub 2021 May 4. J Phys Chem B. 2021. PMID: 33942614 Free PMC article.

10

Shark Antibody Variable Domains Rigidify Upon Affinity Maturation-Understanding the Potential of Shark Immunoglobulins as Therapeutics.

Fernández-Quintero ML, Seidler CA, Quoika PK, Liedl KR. Fernández-Quintero ML, et al. Among authors: quoika pk. Front Mol Biosci. 2021 Apr 20;8:639166. doi: 10.3389/fmolb.2021.639166. eCollection 2021. Front Mol Biosci. 2021. PMID: 33959632 Free PMC article.

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