Vincent A. Voelz

12 papers Misc 1Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
Simple Method to Optimize the Spacing and Number of Alchemical Intermediates in Expanded Ensemble Free Energy Calculations.
J. Chem. Inf. Model.
Dylan Novack, Robert M. Raddi, Si Zhang, Matthew F. D. Hurley, Vincent A. Voelz
2023 J jnl
BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational Populations.
J. Chem. Inf. Model.
Robert M. Raddi, Yunhui Ge, Vincent A. Voelz
2021 J jnl
Assigning Confidence to Molecular Property Prediction.
CoRR
AkshatKumar Nigam, Robert Pollice, Matthew F. D. Hurley, Riley J. Hickman, Matteo Aldeghi, Naruki Yoshikawa, Seyone Chithrananda, Vincent A. Voelz, Alán Aspuru-Guzik
2021 J jnl
Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution.
J. Chem. Inf. Model.
Matthew F. D. Hurley, Justin D. Northrup, Yunhui Ge, Christian E. Schafmeister, Vincent A. Voelz
2021 J jnl
Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2.
J. Chem. Inf. Model.
Yunhui Ge, Si Zhang, Mate Erdelyi, Vincent A. Voelz
2021 J jnl
Stacking Gaussian processes to improve pK
J. Comput. Aided Mol. Des.
Robert M. Raddi, Vincent A. Voelz
2017 J jnl
Computational and Experimental Evaluation of Designed β-Cap Hairpins Using Molecular Simulations and Kinetic Network Models.
J. Chem. Inf. Model.
Yunhui Ge, Brandon L. Kier, Niels H. Andersen, Vincent A. Voelz
2015 J jnl
Molecular Simulation of Conformational Pre-Organization in Cyclic RGD Peptides.
J. Chem. Inf. Model.
Amanda E. Wakefield, William M. Wuest, Vincent A. Voelz
2014 J jnl
Bayesian inference of conformational state populations from computational models and sparse experimental observables.
J. Comput. Chem.
Vincent A. Voelz, Guangfeng Zhou
2014 J jnl
Computational Screening and Selection of Cyclic Peptide Hairpin Mimetics by Molecular Simulation and Kinetic Network Models.
J. Chem. Inf. Model.
Asghar M. Razavi, William M. Wuest, Vincent A. Voelz
2009 Misc conf
A Multiscale Approach to Sampling Nascent Peptide Chains in the Ribosomal Exit Tunnel.
Pacific Symposium on Biocomputing
Vincent A. Voelz, Paula Petrone, Vijay S. Pande
2009 J jnl
Predicting Peptide Structures in Native Proteins from Physical Simulations of Fragments.
PLoS Comput. Biol.
Vincent A. Voelz, M. Scott Shell, Ken A. Dill