Vincent A. Voelz

Temple College — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

30h-index3.9kcitations233works1.22yr avg
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Research Topics

Protein Structure and Dynamics(102), Chemical Synthesis and Analysis(42), Computational Drug Discovery Methods(33), Metabolomics and Mass Spectrometry Studies(33), Enzyme Structure and Function(31)

Publications230 total

Molecular dynamics trajectories of human Pin1
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Molecular dynamics trajectories of human Pin1
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Automatic forward model parameterization with Bayesian inference of conformational populations
APL Machine Learning·2026Open Access
Supporting Information
AIP Publishing·2026Open Access
Supporting Information
AIP Publishing·2026Open Access
Automatic Forward Model Parameterization with Bayesian Inference of Conformational Populations
AIP Publishing·2026Open Access
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0]
Living Journal of Computational Molecular Science·2025· 1 citedOpen Access
Massively Parallel Free Energy Calculations for <i>In Silico</i> Affinity Maturation of Designed Miniproteins
Journal of Chemical Theory and Computation·2025
Automatic Forward Model Parameterization with Bayesian Inference of Conformational Populations.
PubMed·2025· 1 citedOpen Access
High-Resolution Tuning of Non-Natural and Cyclic Peptide Folding Landscapes against NMR Measurements Using Markov Models and Bayesian Inference of Conformational Populations
Journal of Chemical Theory and Computation·2025· 2 cited
Simple Method to Optimize the Spacing and Number of Alchemical Intermediates in Expanded Ensemble Free Energy Calculations
Journal of Chemical Information and Modeling·2025· 3 cited
Model Selection Using Replica Averaging with Bayesian Inference of Conformational Populations
Journal of Chemical Theory and Computation·2025· 4 cited
Expanded ensemble predictions of toluene--water partition coefficients in the SAMPL9 LogP challenge
2025Open Access
A simple method to optimize the spacing and number of alchemical intermediates in expanded ensemble free energy calculations
2025Open Access
Expanded ensemble predictions of toluene–water partition coefficients in the SAMPL9 log <i>P</i> challenge
Physical Chemistry Chemical Physics·2025· 2 cited
High-resolution tuning of non-natural and cyclic peptide folding landscapes against NMR measurements using Markov models and Bayesian Inference of Conformational Populations
2024Open Access
Improved Estimates of Folding Stabilities and Kinetics with Multiensemble Markov Models
Biochemistry·2024· 2 cited
Expanded ensemble predictions of toluene--water partition coefficients in the SAMPL9 LogP challenge
2024· 1 cited
Massively parallel free energy calculations for <i>in silico</i> affinity maturation of designed miniproteins
2024· 3 citedOpen Access
An Evaluation of Force Field Accuracy for the Mini-Protein Chignolin using Markov State Models
2024· 4 citedOpen Access
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Frequent Co-authors

Ge Yunhui(10), Vijay S. Pande(9), Guangfeng Zhou(9), Gregory R. Bowman(8), Ken A. Dill(7), Sudipto Mukherjee(5), Asghar M. Razavi(5), Matthew F. D. Hurley(4), Si Zhang(4), Kyle A. Beauchamp(3), John D. Chodera(3), Ilya Chorny(3), George A. Pantelopulos(3), William M. Wuest(3), Hongbin Wan(3), Maxwell I. Zimmerman(2), Justin R. Porter(2), Michael D. Ward(2), Sukrit Singh(2), Neha Vithani(2)