☰ Chemistry Tree

Vincent A. Voelz

Affiliations:

2011-

Chemistry

Temple University, Philadelphia, PA, United States

Area:

molecular simulation of proteins and peptidomimetics

Website:

http://voelzlab.org

Google:

"Vincent Voelz"

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Parents

Ken A. Dill	grad student	2001-2007	UCSF
(Zipping and assembly as a protein folding principle.)
Vijay S. Pande	grad student	2007-2011	Stanford

Children

Robert M. Raddi	grad student	2018-	Temple University
Yunhui Ge	grad student	2014-2020	Temple University
Matthew F. D. Hurley	grad student	2015-2022

Collaborators

BETA: Related publications

Publications

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Novack D, Zhang S, Voelz VA. (2024) Massively parallel free energy calculations for affinity maturation of designed miniproteins. Biorxiv : the Preprint Server For Biology
Raddi RM, Marshall T, Voelz VA. (2024) Automatic Forward Model Parameterization with Bayesian Inference of Conformational Populations. Arxiv
Raddi RM, Voelz VA. (2023) Markov State Model of Solvent Features Reveals Water Dynamics in Protein-Peptide Binding. The Journal of Physical Chemistry. B
Hurley MFD, Raddi RM, Pattis JG, et al. (2023) Expanded ensemble predictions of absolute binding free energies in the SAMPL9 host-guest challenge. Physical Chemistry Chemical Physics : Pccp
Boby ML, Fearon D, Ferla M, et al. (2023) Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science (New York, N.Y.). 382: eabo7201
Raddi RM, Ge Y, Voelz VA. (2023) BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational Populations. Journal of Chemical Information and Modeling
Voelz VA, Pande VS, Bowman GR. (2023) Folding@home: achievements from over twenty years of citizen science herald the exascale era. Arxiv
Voelz VA, Pande VS, Bowman GR. (2023) Folding@home: Achievements from over 20 years of citizen science herald the exascale era. Biophysical Journal
Ge Y, Voelz VA. (2022) Estimation of binding rates and affinities from multiensemble Markov models and ligand decoupling. The Journal of Chemical Physics. 156: 134115
Zhang S, Hahn DF, Shirts MR, et al. (2021) Expanded Ensemble Methods Can be Used to Accurately Predict Protein-Ligand Relative Binding Free Energies. Journal of Chemical Theory and Computation

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