Maier S - Search Results

1

Toward Post-Hartree-Fock Accuracy for Protein-Ligand Affinities Using the Molecules-in-Molecules Fragmentation-Based Method.

Gupta AK, Maier S, Thapa B, Raghavachari K. Gupta AK, et al. Among authors: maier s. J Chem Theory Comput. 2024 Apr 9;20(7):2774-2785. doi: 10.1021/acs.jctc.3c01293. Epub 2024 Mar 26. J Chem Theory Comput. 2024. PMID: 38530869

2

Approaching Coupled Cluster Accuracy with Density Functional Theory Using the Generalized Connectivity-Based Hierarchy.

Raghavachari K, Maier S, Collins EM, Debnath S, Sengupta A. Raghavachari K, et al. Among authors: maier s. J Chem Theory Comput. 2023 Jul 11;19(13):3763-3778. doi: 10.1021/acs.jctc.3c00301. Epub 2023 Jun 20. J Chem Theory Comput. 2023. PMID: 37338997 Review.

3

G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellation.

Maier S, Thapa B, Raghavachari K. Maier S, et al. Phys Chem Chem Phys. 2020 Feb 26;22(8):4439-4452. doi: 10.1039/c9cp06622e. Phys Chem Chem Phys. 2020. PMID: 32051989

4

Comparative assessment of QM-based and MM-based models for prediction of protein-ligand binding affinity trends.

Maier S, Thapa B, Erickson J, Raghavachari K. Maier S, et al. Phys Chem Chem Phys. 2022 Jun 15;24(23):14525-14537. doi: 10.1039/d2cp00464j. Phys Chem Chem Phys. 2022. PMID: 35661842

5

Quantitative Prediction of Vertical Ionization Potentials from DFT via a Graph-Network-Based Delta Machine Learning Model Incorporating Electronic Descriptors.

Maier S, Collins EM, Raghavachari K. Maier S, et al. J Phys Chem A. 2023 Apr 20;127(15):3472-3483. doi: 10.1021/acs.jpca.2c08821. Epub 2023 Apr 4. J Phys Chem A. 2023. PMID: 37014825

6

Leveraging DFT and Molecular Fragmentation for Chemically Accurate pK_a Prediction Using Machine Learning.

Sanchez AJ, Maier S, Raghavachari K. Sanchez AJ, et al. Among authors: maier s. J Chem Inf Model. 2024 Feb 12;64(3):712-723. doi: 10.1021/acs.jcim.3c01923. Epub 2024 Feb 1. J Chem Inf Model. 2024. PMID: 38301279

7

Ravidomycin Analogs from Streptomyces sp. Exhibit Altered Antimicrobial and Cytotoxic Selectivity.

Park KJ, Maier S, Zhang C, Dixon SAH, Rusch DB, Pupo MT, Angus SP, Gerdt JP. Park KJ, et al. Among authors: maier s. J Nat Prod. 2023 Aug 25;86(8):1968-1979. doi: 10.1021/acs.jnatprod.3c00381. Epub 2023 Aug 2. J Nat Prod. 2023. PMID: 37531219

8

Reactivities of phosphaalkynes towards diverse bis-silylenes.

Sun X, Jin D, Maier S, Hinz A, Roesky PW. Sun X, et al. Among authors: maier s. Dalton Trans. 2024 Jun 3. doi: 10.1039/d4dt01367k. Online ahead of print. Dalton Trans. 2024. PMID: 38828484

9

mitoBK_Ca is functionally expressed in murine and human breast cancer cells and potentially contributes to metabolic reprogramming.

Bischof H, Maier S, Koprowski P, Kulawiak B, Burgstaller S, Jasińska J, Serafimov K, Zochowska M, Gross D, Schroth W, Matt L, Juarez Lopez DA, Zhang Y, Bonzheim I, Büttner FA, Fend F, Schwab M, Birkenfeld AL, Malli R, Lämmerhofer M, Bednarczyk P, Szewczyk A, Lukowski R. Bischof H, et al. Among authors: maier s. Elife. 2024 May 29;12:RP92511. doi: 10.7554/eLife.92511. Elife. 2024. PMID: 38808578 Free PMC article.

10

Reduced contrast sensitivity, pattern electroretinogram ratio, and diminished a-wave amplitude in patients with major depressive disorder.

Friedel EBN, Tebartz van Elst L, Beringer M, Endres D, Runge K, Maier S, Kornmeier J, Bach M, Domschke K, Heinrich SP, Nickel K. Friedel EBN, et al. Among authors: maier s. Eur Arch Psychiatry Clin Neurosci. 2024 May 28. doi: 10.1007/s00406-024-01826-8. Online ahead of print. Eur Arch Psychiatry Clin Neurosci. 2024. PMID: 38805071

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

1,743 results

Search Page