受强制性开放获取政策约束的文章 - John Z.H. Zhang了解详情
无法在其他位置公开访问的文章：96 篇
Interaction entropy: A new paradigm for highly efficient and reliable computation of protein–ligand binding free energy
L Duan, X Liu, JZH Zhang
Journal of the American Chemical Society 138 (17), 5722-5728, 2016
强制性开放获取政策： 国家自然科学基金委员会
DeepDDG: predicting the stability change of protein point mutations using neural networks
H Cao, J Wang, L He, Y Qi, JZ Zhang
Journal of chemical information and modeling 59 (4), 1508-1514, 2019
强制性开放获取政策： 国家自然科学基金委员会
An accurate free energy estimator: based on MM/PBSA combined with interaction entropy for protein–ligand binding affinity
K Huang, S Luo, Y Cong, S Zhong, JZH Zhang, L Duan
Nanoscale 12 (19), 10737-10750, 2020
强制性开放获取政策： 国家自然科学基金委员会
A comparative insight into amprenavir resistance of mutations V32I, G48V, I50V, I54V, and I84V in HIV-1 protease based on thermodynamic integration and MM-PBSA methods
J Chen, X Wang, T Zhu, Q Zhang, JZH Zhang
Journal of chemical information and modeling 55 (9), 1903-1913, 2015
强制性开放获取政策： 国家自然科学基金委员会
Interaction entropy for computational alanine scanning
Y Yan, M Yang, CG Ji, JZH Zhang
Journal of Chemical Information and Modeling 57 (5), 1112-1122, 2017
强制性开放获取政策： 国家自然科学基金委员会
Computational alanine scanning with interaction entropy for protein–ligand binding free energies
X Liu, L Peng, Y Zhou, Y Zhang, JZH Zhang
Journal of chemical theory and computation 14 (3), 1772-1780, 2018
强制性开放获取政策： 国家自然科学基金委员会
Protein–ligand empirical interaction components for virtual screening
Y Yan, W Wang, Z Sun, JZH Zhang, C Ji
Journal of chemical information and modeling 57 (8), 1793-1806, 2017
强制性开放获取政策： 国家自然科学基金委员会
Interaction entropy for computational alanine scanning in protein–protein binding
L Qiu, Y Yan, Z Sun, J Song, JZH Zhang
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (2), e1342, 2018
强制性开放获取政策： 国家自然科学基金委员会
DeepBSP—a machine learning method for accurate prediction of protein–ligand docking structures
J Bao, X He, JZH Zhang
Journal of chemical information and modeling 61 (5), 2231-2240, 2021
强制性开放获取政策： 国家自然科学基金委员会
Structure of liquid water–a dynamical mixture of tetrahedral and ‘ring-and-chain’like structures
J Liu, X He, JZH Zhang
Physical Chemistry Chemical Physics 19 (19), 11931-11936, 2017
强制性开放获取政策： 国家自然科学基金委员会
Fragment quantum mechanical method for large-sized ion–water clusters
J Liu, LW Qi, JZH Zhang, X He
Journal of chemical theory and computation 13 (5), 2021-2034, 2017
强制性开放获取政策： 国家自然科学基金委员会
Fragment quantum chemical approach to geometry optimization and vibrational spectrum calculation of proteins
J Liu, JZH Zhang, X He
Physical Chemistry Chemical Physics 18 (3), 1864-1875, 2016
强制性开放获取政策： 国家自然科学基金委员会
BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation
ZX Sun, XH Wang, JZH Zhang
Physical Chemistry Chemical Physics 19 (23), 15005-15020, 2017
强制性开放获取政策： 国家自然科学基金委员会
Calculation of protein–ligand binding affinities based on a fragment quantum mechanical method
J Liu, X Wang, JZH Zhang, X He
Rsc Advances 5 (129), 107020-107030, 2015
强制性开放获取政策： 国家自然科学基金委员会
Single biosensor for simultaneous quantification of glucose and pH in a rat brain of diabetic model using both current and potential outputs
S Li, A Zhu, T Zhu, JZH Zhang, Y Tian
Analytical chemistry 89 (12), 6656-6662, 2017
强制性开放获取政策： 国家自然科学基金委员会
Accurate and efficient calculation of protein–protein binding free energy-interaction entropy with residue type-specific dielectric constants
X Liu, L Peng, JZH Zhang
Journal of chemical information and modeling 59 (1), 272-281, 2018
强制性开放获取政策： 国家自然科学基金委员会
Molecular dynamics simulation of zinc ion in water with an ab initio based neural network potential
M Xu, T Zhu, JZH Zhang
The Journal of Physical Chemistry A 123 (30), 6587-6595, 2019
强制性开放获取政策： 国家自然科学基金委员会, Department of Science & Technology, India
BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation: the nonequilibrium stratification
X Wang, X Tu, JZH Zhang, Z Sun
Physical Chemistry Chemical Physics 20 (3), 2009-2021, 2018
强制性开放获取政策： 国家自然科学基金委员会
Decoding molecular mechanism of inhibitor bindings to CDK2 using molecular dynamics simulations and binding free energy calculations
J Chen, L Pang, W Wang, L Wang, JZH Zhang, T Zhu
Journal of Biomolecular Structure and Dynamics 38 (4), 985-996, 2020
强制性开放获取政策： 国家自然科学基金委员会
Efficient adsorption separation of xylene isomers using a facilely fabricated cyclodextrin‐based metal–organic framework
L Chen, DD Zhu, GJ Ji, S Yuan, JF Qian, MY He, Q Chen, ZH Zhang
Journal of Chemical Technology & Biotechnology 93 (10), 2898-2905, 2018
强制性开放获取政策： 国家自然科学基金委员会
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