Voelz VA - Search Results

1

Unprotected peptide macrocyclization and stapling via a fluorine-thiol displacement reaction.

Islam MS, Junod SL, Zhang S, Buuh ZY, Guan Y, Zhao M, Kaneria KH, Kafley P, Cohen C, Maloney R, Lyu Z, Voelz VA, Yang W, Wang RE. Islam MS, et al. Among authors: voelz va. Nat Commun. 2022 Jan 17;13(1):350. doi: 10.1038/s41467-022-27995-5. Nat Commun. 2022. PMID: 35039490 Free PMC article.

2

Site-Specific Immuno-PET Tracer to Image PD-L1.

Wissler HL, Ehlerding EB, Lyu Z, Zhao Y, Zhang S, Eshraghi A, Buuh ZY, McGuth JC, Guan Y, Engle JW, Bartlett SJ, Voelz VA, Cai W, Wang RE. Wissler HL, et al. Among authors: voelz va. Mol Pharm. 2019 May 6;16(5):2028-2036. doi: 10.1021/acs.molpharmaceut.9b00010. Epub 2019 Mar 25. Mol Pharm. 2019. PMID: 30875232 Free PMC article.

3

Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2.

Ge Y, Zhang S, Erdelyi M, Voelz VA. Ge Y, et al. Among authors: voelz va. J Chem Inf Model. 2021 May 24;61(5):2353-2367. doi: 10.1021/acs.jcim.1c00029. Epub 2021 Apr 27. J Chem Inf Model. 2021. PMID: 33905247 Free PMC article.

4

Expanded Ensemble Methods Can be Used to Accurately Predict Protein-Ligand Relative Binding Free Energies.

Zhang S, Hahn DF, Shirts MR, Voelz VA. Zhang S, et al. Among authors: voelz va. J Chem Theory Comput. 2021 Oct 12;17(10):6536-6547. doi: 10.1021/acs.jctc.1c00513. Epub 2021 Sep 13. J Chem Theory Comput. 2021. PMID: 34516130 Free PMC article.

5

Microsecond simulations of mdm2 and its complex with p53 yield insight into force field accuracy and conformational dynamics.

Pantelopulos GA, Mukherjee S, Voelz VA. Pantelopulos GA, et al. Among authors: voelz va. Proteins. 2015 Sep;83(9):1665-76. doi: 10.1002/prot.24852. Epub 2015 Jul 21. Proteins. 2015. PMID: 26138282

6

Bridging Microscopic and Macroscopic Mechanisms of p53-MDM2 Binding with Kinetic Network Models.

Zhou G, Pantelopulos GA, Mukherjee S, Voelz VA. Zhou G, et al. Among authors: voelz va. Biophys J. 2017 Aug 22;113(4):785-793. doi: 10.1016/j.bpj.2017.07.009. Biophys J. 2017. PMID: 28834715 Free PMC article.

7

Model Selection Using BICePs: A Bayesian Approach for Force Field Validation and Parameterization.

Ge Y, Voelz VA. Ge Y, et al. Among authors: voelz va. J Phys Chem B. 2018 May 31;122(21):5610-5622. doi: 10.1021/acs.jpcb.7b11871. Epub 2018 Mar 23. J Phys Chem B. 2018. PMID: 29518328 Free PMC article.

8

Fluorinated Aromatic Monomers as Building Blocks To Control α-Peptoid Conformation and Structure.

Gimenez D, Zhou G, Hurley MFD, Aguilar JA, Voelz VA, Cobb SL. Gimenez D, et al. Among authors: voelz va. J Am Chem Soc. 2019 Feb 27;141(8):3430-3434. doi: 10.1021/jacs.8b13498. Epub 2019 Feb 15. J Am Chem Soc. 2019. PMID: 30739443 Free PMC article.

9

Estimation of binding rates and affinities from multiensemble Markov models and ligand decoupling.

Ge Y, Voelz VA. Ge Y, et al. Among authors: voelz va. J Chem Phys. 2022 Apr 7;156(13):134115. doi: 10.1063/5.0088024. J Chem Phys. 2022. PMID: 35395889 Free PMC article.

10

Bayesian inference of conformational state populations from computational models and sparse experimental observables.

Voelz VA, Zhou G. Voelz VA, et al. J Comput Chem. 2014 Nov 15;35(30):2215-24. doi: 10.1002/jcc.23738. Epub 2014 Sep 24. J Comput Chem. 2014. PMID: 25250719

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