Author

M. Isık

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 4 Biochemistry· 1

Signature Assays, Organisms & Methods

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Research Focus:benchmarking· 4 Approach:experimental assay· 3 Approach:statistical model· 2 Approach:deep learning· 1 Organism:human· 1 Research Focus:protein folding & dynamics· 1 Assay:proteomics· 1

Frequent Co-Authors

J. D. Chodera· 5 shared D. L. Mobley· 4 shared A. Rizzi· 2 shared A. S. Rustenburg· 2 shared D. Levorse· 2 shared T. Rhodes· 2 shared A. A. Makarov· 1 shared C. Jeans· 1 shared

Activity by Year

2016-2020 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 27 mutual co-author links

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5 shared papersBiophysics

J. D. Chodera

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Author profile →

5 papers

Recent·Most cited

Overview of the SAMPL6 pKa Challenge: Evaluating small molecule microscopic and macroscopic pKa predictions

M. Isık, A. S. Rustenburg, A. Rizzi, M. R. Gunner, D. L. Mobley, J. D. Chodera

The paper evaluates pKa prediction methods for drug-like molecules, finding that top submissions achieved RMSE of 0.7-1.0 pKa units, but significant inaccuracies remain, especially for sulfur-containing heterocycles and multiprotic molecules.

bioRxiv · Oct 15, 2020Biophysics

Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge

M. Isık, T. D. Bergazin, T. Fox, A. Rizzi, J. D. Chodera, D. L. Mobley

This paper evaluates the accuracy of octanol-water partition coefficient predictions in the SAMPL6 log P Challenge, finding improved performance compared to previous challenges and highlighting the effectiveness of various methods.

bioRxiv · Jan 20, 2020Biophysics

Octanol-water partition coefficient measurements for the SAMPL6 Blind Prediction Challenge

M. Isık, D. Levorse, D. L. Mobley, T. Rhodes, J. D. Chodera

This paper presents a dataset of octanol-water log P values for 11 compounds from the SAMPL6 Part II Partition Coefficient Challenge and describes the experimental protocol used to measure them.

bioRxiv · Dec 2, 2019Biophysics

pKa measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments

M. Isık, D. Levorse, A. S. Rustenburg, I. E. Ndukwe, H. Wang, X. Wang, M. Reibarkh, G. E. Martin, A. A. Makarov, D. L. Mobley, T. Rhodes, J. D. Chodera

The paper evaluates pKa prediction methods using a dataset of kinase inhibitor-like fragments measured by UV absorbance and NMR.

bioRxiv · Sep 25, 2018Biophysics

An open library of human kinase domain constructs for automated bacterial expression

S. K. Albanese, D. L. Parton, M. Isık, L. Rodriguez-Laureano, S. M. Hanson, J. M. Behr, S. Gradia, C. Jeans, N. M. Levinson, M. A. Seeliger, J. D. Chodera

This paper presents a library of 52 human kinase domain constructs expressed in bacteria using phosphatase coexpression, enabling high-throughput biochemical and biophysical studies.

bioRxiv · Feb 25, 2016Biochemistry