Theo dõi
Vincent Voelz
Vincent Voelz
Associate Professor of Chemistry, Temple University
Email được xác minh tại temple.edu - Trang chủ
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
Molecular Simulation of ab Initio Protein Folding for a Millisecond Folder NTL9(1−39)
VA Voelz, GR Bowman, K Beauchamp, VS Pande
Journal of the American Chemical Society 132 (5), 1526-1528, 2010
6312010
The protein folding problem: when will it be solved?
KA Dill, SB Ozkan, TR Weikl, JD Chodera, VA Voelz
Current opinion in structural biology 17 (3), 342-346, 2007
3632007
SARS-CoV-2 simulations go exascale to capture spike opening and reveal cryptic pockets across the proteome
MI Zimmerman, G Bowman
Biophysical Journal 120 (3), 299a, 2021
292*2021
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
J Jansen, KC Reimer, JS Nagai, FS Varghese, GJ Overheul, M de Beer, ...
Cell stem cell 29 (2), 217-231. e8, 2022
2202022
Taming the complexity of protein folding
GR Bowman, VA Voelz, VS Pande
Current opinion in structural biology 21 (1), 4-11, 2011
2102011
Markov state model reveals folding and functional dynamics in ultra-long MD trajectories
TJ Lane, GR Bowman, K Beauchamp, VA Voelz, VS Pande
Journal of the American Chemical Society 133 (45), 18413-18419, 2011
2072011
Atomistic Folding Simulations of the Five-Helix Bundle Protein λ6−85
GR Bowman, VA Voelz, VS Pande
Journal of the American Chemical Society 133 (4), 664-667, 2011
1832011
Slow unfolded-state structuring in Acyl-CoA binding protein folding revealed by simulation and experiment
VA Voelz, M Jäger, S Yao, Y Chen, L Zhu, SA Waldauer, GR Bowman, ...
Journal of the American Chemical Society 134 (30), 12565-12577, 2012
1672012
De novo structure prediction and experimental characterization of folded peptoid oligomers
GL Butterfoss, B Yoo, JN Jaworski, I Chorny, KA Dill, RN Zuckermann, ...
Proceedings of the National Academy of Sciences 109 (36), 14320-14325, 2012
1102012
Unfolded-state dynamics and structure of protein L characterized by simulation and experiment
VA Voelz, VR Singh, WJ Wedemeyer, LJ Lapidus, VS Pande
Journal of the American Chemical Society 132 (13), 4702-4709, 2010
1102010
Bridging microscopic and macroscopic mechanisms of p53-MDM2 binding with kinetic network models
G Zhou, GA Pantelopulos, S Mukherjee, VA Voelz
Biophysical journal 113 (4), 785-793, 2017
942017
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, ...
Science 382 (6671), eabo7201, 2023
822023
Peptoid conformational free energy landscapes from implicit‐solvent molecular simulations in AMBER
VA Voelz, KA Dill, I Chorny
Peptide Science 96 (5), 639-650, 2011
702011
COVID moonshot: open science discovery of SARS-CoV-2 main protease inhibitors by combining crowdsourcing, high-throughput experiments, computational simulations, and machine …
H Achdout, A Aimon, E Bar-David, GM Morris
BioRxiv, 2020
652020
Assigning confidence to molecular property prediction
AK Nigam, R Pollice, MFD Hurley, RJ Hickman, M Aldeghi, N Yoshikawa, ...
Expert opinion on drug discovery 16 (9), 1009-1023, 2021
622021
A molecular interpretation of 2D IR protein folding experiments with Markov state models
CR Baiz, YS Lin, CS Peng, KA Beauchamp, VA Voelz, VS Pande, ...
Biophysical journal 106 (6), 1359-1370, 2014
602014
Blind test of physics-based prediction of protein structures
MS Shell, SB Ozkan, V Voelz, GA Wu, KA Dill
Biophysical journal 96 (3), 917-924, 2009
572009
Molecular dynamics simulation of site-directed spin labeling: experimental validation in muscle fibers
LEW LaConte, V Voelz, W Nelson, M Enz, DD Thomas
Biophysical journal 83 (4), 1854-1866, 2002
562002
Computational screening and selection of cyclic peptide hairpin mimetics by molecular simulation and kinetic network models
AM Razavi, WM Wuest, VA Voelz
Journal of chemical information and modeling 54 (5), 1425-1432, 2014
552014
A maximum-caliber approach to predicting perturbed folding kinetics due to mutations
H Wan, G Zhou, VA Voelz
Journal of chemical theory and computation 12 (12), 5768-5776, 2016
522016
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