Vincent A. Voelz - Publications, H-index & Citations

Vincent A. Voelz

pennsylvania commonwealth system of higher education (pcshe)

30H指数

234论文数

3.9K被引数

收录论文 59

发表时间

Automatic forward model parameterization with Bayesian inference of conformational populations 基于构象种群贝叶斯推断的自动正向模型参数化

APL Machine Learning

IF0

2026-03-01

PREAI

Raddi, Robert M.; Marshall, Tim; Voelz, Vincent A.

Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes

DIGITAL DISCOVERY

IF5.6

2024-01-01

OAAI

Nigam, Akshatkumar; Hurley, Matthew F. D.; Li, Fengling; Konkolova, Eva; Klima, Martin; Trylcova, Jana; Pollice, Robert; Cinaroglu, Suleyman Selim; Levin-Konigsberg, Roni; Handjaya, Jasemine; Schapira, Matthieu; Chau, Irene; Perveen, Sumera; Ng, Ho-Leung; Kaniskan, H. Umit; Han, Yulin; Singh, Sukrit; Gorgulla, Christoph; Kundaje, Anshul; Jin, Jian; Voelz, Vincent A.; Weber, Jan; Nencka, Radim; Boura, Evzen; Vedadi, Masoud; Aspuru-Guzik, Alan

Expanded ensemble predictions of toluene-water partition coefficients in the SAMPL9 log P challenge 扩展系综预测在SAMPL9 log P挑战中的甲苯-水分配系数

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

IF2.9

2024-01-01

PREAI

Goold, Steven R.; Raddi, Robert M.; Voelz, Vincent A.

Folding@home: Achievements from over 20 years of citizen science herald the exascale era

BIOPHYSICAL JOURNAL

IF3.1

2023-07-01

OAAI

Voelz, Vincent A.; Pande, Vijay S.; Bowman, Gregory R.

BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational Populations

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-04-07

OAAI

Raddi, Robert M.; Ge, Yunhui; Voelz, Vincent A.

Estimation of binding rates and affinities from multiensemble Markov models and ligand decoupling

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-04-07

OAAI

Ge, Yunhui; Voelz, Vincent A.

Unprotected peptide macrocyclization and stapling via a fluorine-thiol displacement reaction

NATURE COMMUNICATIONS

IF15.7

2022-01-17

OAAI

Islam, Md Shafiqul; Junod, Samuel L.; Zhang, Si; Buuh, Zakey Yusuf; Guan, Yifu; Zhao, Mi; Kaneria, Kishan H.; Kafley, Parmila; Cohen, Carson; Maloney, Robert; Lyu, Zhigang; Voelz, Vincent A.; Yang, Weidong; Wang, Rongsheng E.

Expanded Ensemble Methods Can be Used to Accurately Predict Protein-Ligand Relative Binding Free Energies

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-09-13

OAAI

Zhang, Si; Hahn, David F.; Shirts, Michael R.; Voelz, Vincent A.

Stacking Gaussian processes to improve pKa predictions in the SAMPL7 challenge

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2021-08-07

OAAI

Raddi, Robert M.; Voelz, Vincent A.

Assigning confidence to molecular property prediction

EXPERT OPINION ON DRUG DISCOVERY

IF4.9

2021-06-15

OAAI

Nigam, AkshatKumar; Pollice, Robert; Hurley, Matthew F. D.; Hickman, Riley J.; Aldeghi, Matteo; Yoshikawa, Naruki; Chithrananda, Seyone; Voelz, Vincent A.; Aspuru-Guzik, Alan

Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2021-06-14

OAAI

Hurley, Matthew F. D.; Northrup, Justin D.; Ge, Yunhui; Schafineister, Christian E.; Voelz, Vincent A.

Reconciling Simulations and Experiments With BICePs: A Review

FRONTIERS IN MOLECULAR BIOSCIENCES

IF4

2021-05-11

OAAI

Voelz, Vincent A.; Ge, Yunhui; Raddi, Robert M.

Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2021-04-27

OAAI

Ge, Yunhui; Zhang, Si; Erdelyi, Mate; Voelz, Vincent A.

Metal-Binding Q-Proline Macrocycles

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2021-02-26

PREAI

Northrup, Justin D.; Wiener, Jesse A.; Hurley, Matthew F. D.; Hou, Chun-Feng David; Keller, Taylor M.; Baxter, Richard H. G.; Zdilla, Michael J.; Voelz, Vincent A.; Schafmeister, Christian E.

Microcanonical coarse-graining of the kinetic Ising model 动力学Ising模型的微规范粗粒度

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-02-25

OAAI

Sigg, Daniel; Voelz, Vincent A.; Carnevale, Vincenzo

Reconciling Simulated Ensembles of Apomyoglobin with Experimental Hydrogen/Deuterium Exchange Data Using Bayesian Inference and Multiensemble Markov State Models

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-01-09

OAAI

Wan, Hongbin; Ge, Yunhui; Razavi, Asghar; Voelz, Vincent A.