Meuwly M - Search Results

1

Impact of the Characteristics of Quantum Chemical Databases on Machine Learning Prediction of Tautomerization Energies.

Vazquez-Salazar LI, Boittier ED, Unke OT, Meuwly M. Vazquez-Salazar LI, et al. Among authors: meuwly m. J Chem Theory Comput. 2021 Aug 10;17(8):4769-4785. doi: 10.1021/acs.jctc.1c00363. Epub 2021 Jul 21. J Chem Theory Comput. 2021. PMID: 34288675

2

Multisurface Adiabatic Reactive Molecular Dynamics.

Nagy T, Yosa Reyes J, Meuwly M. Nagy T, et al. Among authors: meuwly m. J Chem Theory Comput. 2014 Apr 8;10(4):1366-75. doi: 10.1021/ct400953f. Epub 2014 Mar 21. J Chem Theory Comput. 2014. PMID: 26580356

3

Toward a Broadly Applicable Force Field for d(6)-Piano Stool Complexes.

Schmid MH, Ward TR, Meuwly M. Schmid MH, et al. Among authors: meuwly m. J Chem Theory Comput. 2013 May 14;9(5):2313-23. doi: 10.1021/ct301080d. Epub 2013 Apr 12. J Chem Theory Comput. 2013. PMID: 26583724

4

Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular Parameters.

Kramer C, Gedeck P, Meuwly M. Kramer C, et al. Among authors: meuwly m. J Chem Theory Comput. 2013 Mar 12;9(3):1499-511. doi: 10.1021/ct300888f. Epub 2013 Feb 15. J Chem Theory Comput. 2013. PMID: 26587612

5

Spatial Averaging: Sampling Enhancement for Exploring Configurational Space of Atomic Clusters and Biomolecules.

Hédin F, Plattner N, Doll JD, Meuwly M. Hédin F, et al. Among authors: meuwly m. J Chem Theory Comput. 2014 Oct 14;10(10):4284-96. doi: 10.1021/ct500529w. J Chem Theory Comput. 2014. PMID: 26588125

6

Overcoming the Rare Event Sampling Problem in Biological Systems with Infinite Swapping.

Plattner N, Doll JD, Meuwly M. Plattner N, et al. Among authors: meuwly m. J Chem Theory Comput. 2013 Sep 10;9(9):4215-24. doi: 10.1021/ct400355g. Epub 2013 Aug 22. J Chem Theory Comput. 2013. PMID: 26592410

7

Molecular Mechanics Force Field for Octahedral Organometallic Compounds with Inclusion of the Trans Influence.

Tubert-Brohman I, Schmid M, Meuwly M. Tubert-Brohman I, et al. Among authors: meuwly m. J Chem Theory Comput. 2009 Mar 10;5(3):530-9. doi: 10.1021/ct800392n. Epub 2009 Feb 6. J Chem Theory Comput. 2009. PMID: 26610220

8

Explicit Hydrogen-Bond Potentials and Their Application to NMR Scalar Couplings in Proteins.

Huang J, Meuwly M. Huang J, et al. Among authors: meuwly m. J Chem Theory Comput. 2010 Feb 9;6(2):467-76. doi: 10.1021/ct9005695. J Chem Theory Comput. 2010. PMID: 26617302

9

Direct Comparison of Experimental and Calculated NMR Scalar Coupling Constants for Force Field Validation and Adaptation.

Schmid FF, Meuwly M. Schmid FF, et al. Among authors: meuwly m. J Chem Theory Comput. 2008 Nov 11;4(11):1949-58. doi: 10.1021/ct800241d. J Chem Theory Comput. 2008. PMID: 26620337

10

HSO3Cl: a prototype molecule for studying OH-stretching overtone induced photodissociation.

Yosa Reyes J, Brickel S, Unke OT, Nagy T, Meuwly M. Yosa Reyes J, et al. Among authors: meuwly m. Phys Chem Chem Phys. 2016 Mar 7;18(9):6780-8. doi: 10.1039/c5cp07319g. Epub 2016 Feb 15. Phys Chem Chem Phys. 2016. PMID: 26878435 Free article.

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