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He Huang (Agnes)
He Huang (Agnes)
OpenEye Scientific Software
Verified email at eyesopen.com
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Year
ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution
C Tian, K Kasavajhala, KAA Belfon, L Raguette, H Huang, AN Migues, ...
Journal of Chemical Theory and Computation 16 (1), 528-552, 2019
9892019
Folding simulations for proteins with diverse topologies are accessible in days with a physics-based force field and implicit solvent
H Nguyen, J Maier, H Huang, V Perrone, C Simmerling
Journal of the American Chemical Society 136 (40), 13959-13962, 2014
2342014
Structure-Guided Design and Development of Potent and Selective Dual Bromodomain 4 (BRD4)/Polo-like Kinase 1 (PLK1) Inhibitors
S Liu, HO Yosief, L Dai, H Huang, G Dhawan, X Zhang, AM Muthengi, ...
Journal of medicinal chemistry 61 (17), 7785-7795, 2018
552018
Elucidating Solution Structures of Cyclic Peptides Using Molecular Dynamics Simulations
J Damjanovic, J Miao, H Huang, YS Lin
Chemical Reviews 121 (4), 2292-2324, 2021
542021
A novel bromodomain inhibitor reverses HIV-1 latency through specific binding with BRD4 to promote Tat and P-TEFb association
H Huang, S Liu, M Jean, S Simpson, H Huang, M Merkley, T Hayashi, ...
Frontiers in microbiology 8, 1035, 2017
532017
Fast Pairwise Approximation of Solvent Accessible Surface Area for Implicit Solvent Simulations of Proteins on CPUs and GPUs
H Huang, C Simmerling
Journal of chemical theory and computation 14 (11), 5797-5814, 2018
372018
Cyclic peptides: backbone rigidification and capability of mimicking motifs at protein–protein interfaces
H Huang, J Damjanovic, J Miao, YS Lin
Physical Chemistry Chemical Physics 23 (1), 607-616, 2021
142021
GPU-accelerated Protein Modeling and Structure Prediction using Molecular Dynamics
H Huang
State University of New York at Stony Brook, 2018
2018
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