| All-atom continuous constant pH molecular dynamics with particle-mesh Ewald and titratable water Y Huang, W Chen, W Jason, J Shen Journal of chemical theory and computation 12, 5411-5421, 2016 | 106 | 2016 |
| Mechanism of pH-dependent activation of the sodium-proton antiporter NhaA Y Huang, W Chen, DL Dotson, O Beckstein, J Shen Nature Communications 7, 12940, 2016 | 97 | 2016 |
| Conformational Activation of a Transmembrane Proton Channel from Constant pH Molecular Dynamics W Chen, Y Huang, J Shen Journal of physical chemistry letter 7, 3961-3966, 2016 | 59 | 2016 |
| Generalized Born based continuous constant pH molecular dynamics in Amber: Implementation, benchmarking and analysis Y Huang, RC Harris, J Shen Journal of chemical information and modeling 58 (7), 1372-1383, 2018 | 49 | 2018 |
| Predicting catalytic proton donors and nucleophiles in enzymes: How adding dynamics helps elucidate the structure–function relationships Y Huang, Z Yue, CC Tsai, JA Henderson, J Shen The journal of physical chemistry letters 9 (6), 1179-1184, 2018 | 36 | 2018 |
| Protein Secondary Structure Prediction With a Reductive Deep Learning Method Z Lyu, Z Wang, F Luo, J Shuai, Y Huang Frontiers in Bioengineering and Biotechnology 9, 687426, 2021 | 23 | 2021 |
| Protein pKa Prediction with Machine Learning Z Cai, F Luo, Y Wang, E Li, Y Huang ACS Omega 6, 34823-34831, 2021 | 22 | 2021 |
| Alternative proton-binding site and long-distance coupling in Escherichia coli sodium–proton antiporter NhaA JA Henderson, Y Huang, O Beckstein, J Shen Proceedings of the National Academy of Sciences 117 (41), 25517-25522, 2020 | 22 | 2020 |
| Frequency and Relative Prevalence of Calcium Blips and Puffs in a Model of Small IP3R Clusters H Qi, Y Huang, S Rüdiger, J Shuai Biophysical Journal 106 (11), 2353-2363, 2014 | 20 | 2014 |
| Channel-based Langevin approach for the stochastic Hodgkin-Huxley neuron Y Huang, S Rüdiger, J Shuai Physical Review E 87 (1), 012716, 2013 | 18 | 2013 |
| Accurate Langevin approaches to simulate Markovian channel dynamics Y Huang, S Rüdiger, J Shuai Physical biology 12 (6), 061001, 2015 | 17 | 2015 |
| Understanding the pH-dependent reaction mechanism of a glycoside hydrolase using high-resolution X-ray and neutron crystallography Z Li, X Zhang, Q Wang, C Li, N Zhang, X Zhang, B Xu, B Ma, TE Schrader, ... ACS catalysis 8 (9), 8058-8069, 2018 | 16 | 2018 |
| Continuous constant pH molecular dynamics simulations of transmembrane proteins Y Huang, JA Henderson, J Shen Structure and Function of Membrane Proteins, 275-287, 2021 | 13 | 2021 |
| Puff-wave transition in an inhomogeneous model for calcium signals J Shuai, Y Huang, S Rüdiger Physical Review E 81 (4), 041904, 2010 | 12 | 2010 |
| A Guide to the Continuous Constant pH Molecular Dynamics Methods in Amber and CHARMM [Article v1.0] JA Henderson, R Liu, JA Harris, Y Huang, VM Oliveira, J Shen Living Journal of Computational Molecular Science 4 (1), 1-24, 2022 | 11 | 2022 |
| Modified Langevin approach for a stochastic calcium puff model Y Huang, S Rüdiger, J Shuai The European Physical Journal B 83 (3), 401-407, 2011 | 11 | 2011 |
| Amber 2019 D Case, I Ben-Shalom, S Brozell, D Cerutti, T Cheatham, V Cruzeiro III, ... University of California, San Francisco, 2019 | 9* | 2019 |
| Langevin approach for stochastic Hodgkin–Huxley dynamics with discretization of channel open fraction Y Huang, S Rüdiger, J Shuai Physics Letters A 377 (44), 3223-3227, 2013 | 7 | 2013 |
| Induced Dipoles Incorporated into All-Atom Zn Protein Simulations with Multiscale Modeling Y Huang, J Shuai The Journal of Physical Chemistry B 117 (20), 6138-6148, 2013 | 5 | 2013 |
| Channel based generating function approach to the stochastic Hodgkin-Huxley neuronal system A Ling, Y Huang, J Shuai, Y Lan Scientific Reports 6, 1-12, 2016 | 4 | 2016 |
Jana ShenProfessor of Pharmaceutical Sciences, University of Maryland School of PharmacyBestätigte E-Mail-Adresse bei rx.umaryland.edu
