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Hongbin Wan
Hongbin Wan
Senior Scientist, Novartis Institutes for BioMedical Research
Verified email at novartis.com
Title
Cited by
Cited by
Year
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
502016
Adaptive Markov state model estimation using short reseeding trajectories
H Wan, VA Voelz
The Journal of chemical physics 152 (2), 2020
412020
Reconciling simulated ensembles of apomyoglobin with experimental hydrogen/deuterium exchange data using bayesian inference and multiensemble markov state models
H Wan, Y Ge, A Razavi, VA Voelz
Journal of chemical theory and computation 16 (2), 1333-1348, 2020
292020
Spherical monovalent ions at aqueous liquid–vapor interfaces: Interfacial stability and induced interface fluctuations
S Ou, Y Hu, S Patel, H Wan
The Journal of Physical Chemistry B 117 (39), 11732-11742, 2013
232013
Probing the Dynamic Structure–Function and Structure-Free Energy Relationships of the Coronavirus Main Protease with Biodynamics Theory
H Wan, V Aravamuthan, RA Pearlstein
ACS pharmacology & translational science 3 (6), 1111-1143, 2020
202020
Toward in vivo-relevant hERG safety assessment and mitigation strategies based on relationships between non-equilibrium blocker binding, three-dimensional …
H Wan, G Selvaggio, RA Pearlstein
Plos one 15 (11), e0234946, 2020
132020
Toward in vivo relevant drug design
RA Pearlstein, H Wan, V Aravamuthan
Drug Discovery Today 26 (3), 637-650, 2021
112021
Solvation dynamics-powered structure and function of multi-molecular cellular systems exemplified by non-equilibrium cereblon-degrader-CK1α ternary complex formation
H Wan, V Aravamuthan, S Williams, C Wartchow, JS Duca, RA Pearlstein
bioRxiv, 2021
32021
General structure-free energy relationships of hERG blocker binding under native cellular conditions
H Wan, K Spiru, S Williams, RA Pearlstein
bioRxiv, 2021.10. 07.463585, 2021
22021
Probing cellular arrhythmogenesis using the O’Hara-Rudy model of the undiseased human ventricular cardiomyocyte
G Selvaggio, W Hongbin, RA Pearlstein
bioRxiv, 2020.11. 15.384032, 2020
22020
Toward a first principles understanding of the activation and deactivation mechanisms of class A G-protein coupled receptors and voltage-gated cation channels
H Wan, RA Pearlstein
bioRxiv, 2022.03. 29.486149, 2022
12022
Improving the preclinical and clinical success rates of LMW drugs depends on radical revisions to the status quo scientific foundations of medicinal chemistry: a case study on …
RA Pearlstein, H Wan, S Williams
bioRxiv, 2022.10. 31.514572, 2022
2022
On the Use of Short Reseeding Trajectories to Sample Markov State Models
H Wan, V Voelz
Biophysical Journal 116 (3), 289a, 2019
2019
Efficient sampling of protein conformational dynamics and prediction of mutation effects.
H Wan
2019
Reconciling Simulated Ensembles of Apomyoglobin with Experimental HDX Data
H Wan, Y Ge, A Razavi, V Voelz
Biophysical Journal 114 (3), 680a-681a, 2018
2018
Using Markov state models to better understand the effects of mutations on folding
H Wan, V Voelz
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016
2016
Inferring perturbed Markov state model kinetics upon thermodynamic reweighting
V Voelz, G Zhou, H Wan
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016
2016
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