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ORCIDVincent A. Voelz
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Journal Articles
- 2023
[j9]Robert M. Raddi
, Yunhui Ge, Vincent A. Voelz:
BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational Populations. J. Chem. Inf. Model. 63(8): 2370-2381 (2023)- 2021
- [j8]Robert M. Raddi, Vincent A. Voelz:
Stacking Gaussian processes to improve pKa predictions in the SAMPL7 challenge. J. Comput. Aided Mol. Des. 35(9): 953-961 (2021) - [j7]Yunhui Ge, Si Zhang, Mate Erdelyi, Vincent A. Voelz:
Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2. J. Chem. Inf. Model. 61(5): 2353-2367 (2021) - [j6]Matthew F. D. Hurley, Justin D. Northrup, Yunhui Ge, Christian E. Schafmeister, Vincent A. Voelz:
Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution. J. Chem. Inf. Model. 61(6): 2818-2828 (2021) - 2017
- [j5]Yunhui Ge, Brandon L. Kier, Niels H. Andersen, Vincent A. Voelz:
Computational and Experimental Evaluation of Designed β-Cap Hairpins Using Molecular Simulations and Kinetic Network Models. J. Chem. Inf. Model. 57(7): 1609-1620 (2017) - 2015
- [j4]Amanda E. Wakefield, William M. Wuest, Vincent A. Voelz:
Molecular Simulation of Conformational Pre-Organization in Cyclic RGD Peptides. J. Chem. Inf. Model. 55(4): 806-813 (2015) - 2014
- [j3]Vincent A. Voelz, Guangfeng Zhou:
Bayesian inference of conformational state populations from computational models and sparse experimental observables. J. Comput. Chem. 35(30): 2215-2224 (2014) - [j2]Asghar M. Razavi, William M. Wuest, Vincent A. Voelz:
Computational Screening and Selection of Cyclic Peptide Hairpin Mimetics by Molecular Simulation and Kinetic Network Models. J. Chem. Inf. Model. 54(5): 1425-1432 (2014) - 2009
- [j1]Vincent A. Voelz, M. Scott Shell, Ken A. Dill:
Predicting Peptide Structures in Native Proteins from Physical Simulations of Fragments. PLoS Comput. Biol. 5(2) (2009)
Conference and Workshop Papers
- 2009
- [c1]Vincent A. Voelz, Paula Petrone, Vijay S. Pande:
A Multiscale Approach to Sampling Nascent Peptide Chains in the Ribosomal Exit Tunnel. Pacific Symposium on Biocomputing 2009: 340-352
Informal and Other Publications
- 2021
- [i1]AkshatKumar Nigam, Robert Pollice, Matthew F. D. Hurley, Riley J. Hickman, Matteo Aldeghi, Naruki Yoshikawa, Seyone Chithrananda, Vincent A. Voelz, Alán Aspuru-Guzik:
Assigning Confidence to Molecular Property Prediction. CoRR abs/2102.11439 (2021)
Coauthor Index
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