Vincent A. Voelz

Publication Activity (10 Years)

Years Active: 2009-2023
Publications (10 Years): 6

Top Topics

Cognitive Modelling

Computational Model

Search Mechanism

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

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) (2023)
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 (2021)
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) (2021)
Robert M. Raddi, Vincent A. Voelz
predictions in the SAMPL7 challenge. J. Comput. Aided Mol. Des. 35 (9) (2021)
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) (2021)
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) (2017)
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) (2015)
Vincent A. Voelz, Guangfeng Zhou
Bayesian inference of conformational state populations from computational models and sparse experimental observables. J. Comput. Chem. 35 (30) (2014)
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) (2014)
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)
Vincent A. Voelz, P. Petrone, Vijay S. Pande
A Multiscale Approach to Sampling Nascent Peptide Chains in the Ribosomal Exit Tunnel. Pacific Symposium on Biocomputing (2009)