Author

H. Wulff

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· 3 Biochemistry· 1 Physiology· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 4 Research Focus:drug response / drug discovery· 3 Organism:human· 3 Approach:statistical model· 3 Organism:mouse· 2 Assay:structural biology· 2 Research Focus:benchmarking· 1 Assay:electrophysiology· 1

Frequent Co-Authors

V. Yarov-Yarovoy· 4 shared P. T. Nguyen· 3 shared F. DiMaio· 2 shared G. Zhou· 2 shared H. M. Nguyen· 2 shared V. Singh· 2 shared A. Aida Olivan-Viguera· 1 shared A. Ghetti· 1 shared

Activity by Year

2019-2024 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 25 mutual co-author links

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4 shared papersBiophysics

V. Yarov-Yarovoy

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Author profile →

5 papers

Recent·Most cited

Towards high-resolution modeling of small molecule-ion channel interactions

B. J. Harris, P. T. Nguyen, G. Zhou, H. Wulff, F. DiMaio, V. Yarov-Yarovoy

This study evaluates two ligand docking methods for ion channel complexes, finding they can sample near-native poses but struggle to consistently identify them as top-scoring models.

bioRxiv · Apr 2, 2024Biophysics

An artificial intelligence accelerated virtual screening platform for drug discovery

G. Zhou, D.-V. Rusnac, H. Park, D. Canzani, H. M. Nguyen, L. Stewart, M. F. Bush, P. T. Nguyen, H. Wulff, V. Yarov-Yarovoy, N. Zheng, F. DiMaio

The paper develops RosettaVS, an AI-accelerated virtual screening platform that identifies drug candidates with high binding affinity across two targets, achieving a 14% and 44% hit rate in under seven days.

bioRxiv · Mar 28, 2024Biochemistry

Elucidating Molecular Mechanisms of Protoxin-2 State-specific Binding to the Human NaV1.7 Channel

K. Ngo, D. L. Mateos, Y. Han, K. C. Rouen, S.-H. Ahn, H. Wulff, C. E. Clancy, V. Yarov-Yarovoy, I. Vorobyov

This study uses computational modeling to investigate how protoxin-2 binds to different states of the hNaV1.7 channel, identifying key residues and lipid interactions that contribute to its selectivity.

bioRxiv · Feb 27, 2023Biophysics

Computational design of peptides to target Nav1.7 channel with high potency and selectivity for the treatment of pain

P. T. Nguyen, H. M. Nguyen, K. M. Wagner, R. Stewart, V. Singh, P. Thapa, Y.-J. Chen, M. W. Lillya, A. T. Ton, R. Kondo, A. Ghetti, M. W. Pennington, B. Hammock, T. N. Griffith, J. T. Sack, , V. Yarov-Yarovoy

The paper designs potent and selective peptide inhibitors of human NaV1.7 channels using Rosetta, with two peptides showing sub-nanomolar IC50 and high selectivity over other sodium channels.

bioRxiv · Jul 21, 2022Biophysics

KCa3.1-transgene induction in murine skin produces pruritic eczematous dermatitis with severe epidermal hyperplasia and hyperkeratosis

R. Köhler, J. Lozano-Gerona, A. Aida Olivan-Viguera, P. Delgado-Wicke, V. Singh, B. M. Brown, E. Tapia-Casellas, E. Pueyo, M. S. Valero, A.-L. Garcia-Otin, P. Giraldo, E. Abarca-Lachen, J. C. Surra, J. Osada, K. L. Hamilton, , Y. Gilaberte

This paper induces KCa3.1 overexpression in murine skin, leading to eczematous dermatitis with hyperplasia, hyperkeratosis, and cytokine elevation, and shows that blocking KCa3.1 reduces these effects.

bioRxiv · Sep 5, 2019Physiology