재정 지원 요구사항을 통해 공개된 자료 - Huanxiang Liu자세히 알아보기
제공된 곳이 없음: 68
Molecular dynamics simulations and novel drug discovery
X Liu, D Shi, S Zhou, H Liu, H Liu, X Yao
Expert opinion on drug discovery 13 (1), 23-37, 2018
재정 지원 요구사항 정책: National Natural Science Foundation of China
fastDRH: a webserver to predict and analyze protein–ligand complexes based on molecular docking and MM/PB (GB) SA computation
Z Wang, H Pan, H Sun, Y Kang, H Liu, D Cao, T Hou
Briefings in Bioinformatics 23 (5), bbac201, 2022
재정 지원 요구사항 정책: National Natural Science Foundation of China
Molecular Mechanism of the Inhibition and Remodeling of Human Islet Amyloid Polypeptide (hIAPP1–37) Oligomer by Resveratrol from Molecular Dynamics …
Q Wang, L Ning, Y Niu, H Liu, X Yao
The Journal of Physical Chemistry B 119 (1), 15-24, 2015
재정 지원 요구사항 정책: National Natural Science Foundation of China
Synthesis, biological activities and structure− activity relationships for new avermectin analogues
J Zhang, X Nan, HT Yu, PL Cheng, Y Zhang, YQ Liu, SY Zhang, GF Hu, ...
European Journal of Medicinal Chemistry 121, 422-432, 2016
재정 지원 요구사항 정책: National Natural Science Foundation of China
Electric-field and strain-tunable electronic properties of MoS 2/h-BN/graphene vertical heterostructures
W Zan, W Geng, H Liu, X Yao
Physical Chemistry Chemical Physics 18 (4), 3159-3164, 2016
재정 지원 요구사항 정책: National Natural Science Foundation of China
Computational study on the unbinding pathways of B-RAF inhibitors and its implication for the difference of residence time: insight from random acceleration and steered …
Y Niu, S Li, D Pan, H Liu, X Yao
Physical Chemistry Chemical Physics 18 (7), 5622-5629, 2016
재정 지원 요구사항 정책: National Natural Science Foundation of China
Molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis on selectivity difference between FKBP51 and FKBP52: Insight into the molecular …
D Shi, Q Bai, S Zhou, X Liu, H Liu, X Yao
Proteins: Structure, Function, and Bioinformatics 86 (1), 43-56, 2018
재정 지원 요구사항 정책: National Natural Science Foundation of China
Synthesis and biological evaluation of 2, 4-diaminopyrimidines as selective Aurora A kinase inhibitors
WW Qin, CY Sang, LL Zhang, W Wei, HZ Tian, HX Liu, SW Chen, L Hui
European Journal of Medicinal Chemistry 95, 174-184, 2015
재정 지원 요구사항 정책: National Natural Science Foundation of China
Molecular dynamics studies on the enzalutamide resistance mechanisms induced by androgen receptor mutations
H Liu, L Wang, J Tian, J Li, H Liu
Journal of Cellular Biochemistry 118 (9), 2792-2801, 2017
재정 지원 요구사항 정책: National Natural Science Foundation of China
Interaction mechanism exploration of R-bicalutamide/S-1 with WT/W741L AR using molecular dynamics simulations
H Liu, X An, S Li, Y Wang, J Li, H Liu
Molecular BioSystems 11 (12), 3347-3354, 2015
재정 지원 요구사항 정책: National Natural Science Foundation of China
Molecular modeling study on the dynamical structural features of human smoothened receptor and binding mechanism of antagonist LY2940680 by metadynamics simulation and free …
Q Bai, Y Shen, N Jin, H Liu, X Yao
Biochimica et Biophysica Acta (BBA)-General Subjects 1840 (7), 2128-2138, 2014
재정 지원 요구사항 정책: National Natural Science Foundation of China
Design, Synthesis, Crystal Structure, Insecticidal Activity, Molecular Docking, and QSAR Studies of Novel N3-Substituted Imidacloprid Derivatives
MJ Wang, XB Zhao, D Wu, YQ Liu, Y Zhang, X Nan, H Liu, HT Yu, GF Hu, ...
Journal of agricultural and food chemistry 62 (24), 5429-5442, 2014
재정 지원 요구사항 정책: National Natural Science Foundation of China
Importance of a crystalline water network in docking-based virtual screening: a case study of BRD4
H Zhong, Z Wang, X Wang, H Liu, D Li, H Liu, X Yao, T Hou
Physical Chemistry Chemical Physics 21 (45), 25276-25289, 2019
재정 지원 요구사항 정책: National Natural Science Foundation of China
Disclosing the mechanism of spontaneous aggregation and template-induced misfolding of the key hexapeptide (PHF6) of tau protein based on molecular dynamics simulation
H Liu, H Zhong, X Liu, S Zhou, S Tan, H Liu, X Yao
ACS chemical neuroscience 10 (12), 4810-4823, 2019
재정 지원 요구사항 정책: National Natural Science Foundation of China
Computational study on the interaction between CCR5 and HIV-1 entry inhibitor maraviroc: insight from accelerated molecular dynamics simulation and free energy calculation
Q Bai, Y Zhang, X Li, W Chen, H Liu, X Yao
Physical Chemistry Chemical Physics 16 (44), 24332-24338, 2014
재정 지원 요구사항 정책: National Natural Science Foundation of China
Understanding the structural and energetic basis of PD-1 and monoclonal antibodies bound to PD-L1: A molecular modeling perspective
D Shi, S Zhou, X Liu, C Zhao, H Liu, X Yao
Biochimica et Biophysica Acta (BBA)-General Subjects 1862 (3), 576-588, 2018
재정 지원 요구사항 정책: National Natural Science Foundation of China
Influence of EGCG on α‐synuclein (αS) aggregation and identification of their possible binding mode: A computational study using molecular dynamics simulation
X Liu, S Zhou, D Shi, Q Bai, H Liu, X Yao
Chemical Biology & Drug Design 91 (1), 162-171, 2018
재정 지원 요구사항 정책: National Natural Science Foundation of China
The misfolding mechanism of the key fragment R3 of tau protein: a combined molecular dynamics simulation and Markov state model study
H Liu, H Zhong, Z Xu, Q Zhang, SJA Shah, H Liu, X Yao
Physical Chemistry Chemical Physics 22 (19), 10968-10980, 2020
재정 지원 요구사항 정책: National Natural Science Foundation of China
Synthesis and biological evaluation of 2, 4-disubstituted phthalazinones as Aurora kinase inhibitors
W Wang, X Feng, HX Liu, SW Chen, L Hui
Bioorganic & Medicinal Chemistry 26 (12), 3217-3226, 2018
재정 지원 요구사항 정책: National Natural Science Foundation of China
Self-assembling bolaamphiphile-like collagen mimetic peptides
L Yao, M He, D Li, H Liu, J Wu, J Xiao
New Journal of Chemistry 42 (9), 7439-7444, 2018
재정 지원 요구사항 정책: National Natural Science Foundation of China
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