Komissarov L - Search Results

1

Actionable Predictions of Human Pharmacokinetics at the Drug Design Stage.

Komissarov L, Manevski N, Groebke Zbinden K, Schindler T, Zitnik M, Sach-Peltason L. Komissarov L, et al. Mol Pharm. 2024 Sep 2;21(9):4356-4371. doi: 10.1021/acs.molpharmaceut.4c00311. Epub 2024 Aug 12. Mol Pharm. 2024. PMID: 39132855

2

Piperazine-Fused Cyclic Disulfides Unlock High-Performance Bioreductive Probes of Thioredoxins and Bifunctional Reagents for Thiol Redox Biology.

Zeisel L, Felber JG, Scholzen KC, Schmitt C, Wiegand AJ, Komissarov L, Arnér ESJ, Thorn-Seshold O. Zeisel L, et al. Among authors: komissarov l. J Am Chem Soc. 2024 Feb 28;146(8):5204-5214. doi: 10.1021/jacs.3c11153. Epub 2024 Feb 15. J Am Chem Soc. 2024. PMID: 38358897

3

A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes.

Krep L, Schmalz F, Solbach F, Komissarov L, Nevolianis T, Kopp WA, Verstraelen T, Leonhard K. Krep L, et al. Among authors: komissarov l. Chemphyschem. 2023 Apr 3;24(7):e202300135. doi: 10.1002/cphc.202300135. Chemphyschem. 2023. PMID: 37009991

4

Computational Predictions of Nonclinical Pharmacokinetics at the Drug Design Stage.

Stoyanova R, Katzberger PM, Komissarov L, Khadhraoui A, Sach-Peltason L, Groebke Zbinden K, Schindler T, Manevski N. Stoyanova R, et al. Among authors: komissarov l. J Chem Inf Model. 2023 Jan 23;63(2):442-458. doi: 10.1021/acs.jcim.2c01134. Epub 2023 Jan 3. J Chem Inf Model. 2023. PMID: 36595708

5

A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field Development.

Komissarov L, Krep L, Schmalz F, Kopp WA, Leonhard K, Verstraelen T. Komissarov L, et al. Chemphyschem. 2023 Apr 17;24(8):e202200786. doi: 10.1002/cphc.202200786. Epub 2023 Jan 19. Chemphyschem. 2023. PMID: 36585384

6

A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes.

Krep L, Schmalz F, Solbach F, Komissarov L, Nevolianis T, Kopp WA, Verstraelen T, Leonhard K. Krep L, et al. Among authors: komissarov l. Chemphyschem. 2023 Apr 3;24(7):e202200783. doi: 10.1002/cphc.202200783. Epub 2023 Jan 16. Chemphyschem. 2023. PMID: 36511423

7

Zeo-1, a computational data set of zeolite structures.

Komissarov L, Verstraelen T. Komissarov L, et al. Sci Data. 2022 Feb 22;9(1):61. doi: 10.1038/s41597-022-01160-5. Sci Data. 2022. PMID: 35194039 Free PMC article.

8

Improving the Silicon Interactions of GFN-xTB.

Komissarov L, Verstraelen T. Komissarov L, et al. J Chem Inf Model. 2021 Dec 27;61(12):5931-5937. doi: 10.1021/acs.jcim.1c01170. Epub 2021 Dec 10. J Chem Inf Model. 2021. PMID: 34890199

9

ParAMS: Parameter Optimization for Atomistic and Molecular Simulations.

Komissarov L, Rüger R, Hellström M, Verstraelen T. Komissarov L, et al. J Chem Inf Model. 2021 Aug 23;61(8):3737-3743. doi: 10.1021/acs.jcim.1c00333. Epub 2021 May 13. J Chem Inf Model. 2021. PMID: 33983727

10

Erratum to: Full-dose Perindopril/Indapamide in the Treatment of Difficult-to-Control Hypertension: The FORTISSIMO Study.

Karpov YA; FORTISSIMO physicians. Karpov YA, et al. Clin Drug Investig. 2017 Sep;37(9):889-890. doi: 10.1007/s40261-017-0551-y. Clin Drug Investig. 2017. PMID: 28695534 No abstract available.

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