| scholarly article | Q13442814 |
| P2093 | author name string | Hao Zhang | |
| Huaiyu Yang | |||
| Hualiang Jiang | |||
| Yechun Xu | |||
| Tingting Liu | |||
| Cheng Luo | |||
| Kunqian Yu | |||
| Mingyue Zheng | |||
| Weiliang Zhu | |||
| Dong Lu | |||
| P2860 | cites work | Sphingosine-1-phosphate is a missing cofactor for the E3 ubiquitin ligase TRAF2 | Q24336131 |
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| Promise of personalized omics to precision medicine | Q26852592 | ||
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| Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding | Q27677074 | ||
| The amyloid hypothesis of Alzheimer's disease: progress and problems on the road to therapeutics | Q27860914 | ||
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| Alzheimer's disease: the amyloid cascade hypothesis | Q29547160 | ||
| Extended-connectivity fingerprints | Q29616639 | ||
| Structural diversity of G protein-coupled receptors and significance for drug discovery | Q29616716 | ||
| Relating protein pharmacology by ligand chemistry | Q29617492 | ||
| Recent progress in understanding Alzheimer's β-amyloid structures | Q30318442 | ||
| QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR. | Q30358007 | ||
| Enabling the 'host jump': structural determinants of receptor-binding specificity in influenza A viruses. | Q30368528 | ||
| Recent advances in neuraminidase inhibitor development as anti-influenza drugs | Q30419301 | ||
| Active, phosphorylated fingolimod inhibits histone deacetylases and facilitates fear extinction memory | Q30605352 | ||
| Big data in biomedicine | Q30687910 | ||
| In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion | Q30833986 | ||
| Drug-induced prolongation of the QT interval | Q33151147 | ||
| iDrug: a web-accessible and interactive drug discovery and design platform | Q33712915 | ||
| Regulation of histone acetylation in the nucleus by sphingosine-1-phosphate. | Q33773569 | ||
| Amyloid β Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies | Q33893017 | ||
| DRAR-CPI: a server for identifying drug repositioning potential and adverse drug reactions via the chemical-protein interactome | Q33894409 | ||
| Structural and dynamic effects of cholesterol at preferred sites of interaction with rhodopsin identified from microsecond length molecular dynamics simulations | Q33913886 | ||
| Conformational transition of amyloid beta-peptide | Q33936728 | ||
| PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach | Q33957682 | ||
| Polymorphism in Alzheimer Abeta amyloid organization reflects conformational selection in a rugged energy landscape | Q34059772 | ||
| Putative hAPN receptor binding sites in SARS_CoV spike protein. | Q51669763 | ||
| Virtual screening for finding natural inhibitor against cathepsin-L for SARS therapy. | Q51932839 | ||
| An increased percentage of long amyloid beta protein secreted by familial amyloid beta protein precursor (beta APP717) mutants. | Q53207278 | ||
| Exploring transition pathway and free-energy profile of large-scale protein conformational change by combining normal mode analysis and umbrella sampling molecular dynamics. | Q54422364 | ||
| Predictive, personalized, preventive, participatory (P4) cancer medicine. | Q55054012 | ||
| Personalized medicine: revolutionizing drug discovery and patient care | Q77181431 | ||
| Binding interaction of quercetin-3-beta-galactoside and its synthetic derivatives with SARS-CoV 3CL(pro): structure-activity relationship studies reveal salient pharmacophore features | Q79258362 | ||
| Inhibitor discovery targeting the intermediate structure of beta-amyloid peptide on the conformational transition pathway: implications in the aggregation mechanism of beta-amyloid peptide | Q80214756 | ||
| Neuraminidase pharmacophore model derived from diverse classes of inhibitors | Q82792035 | ||
| Mapping central α-helix linker mediated conformational transition pathway of calmodulin via simple computational approach | Q87569259 | ||
| Techniques used for the discovery of therapeutic compounds: The case of SARS | Q88187367 | ||
| A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions | Q40957448 | ||
| Computational assay of H7N9 influenza neuraminidase reveals R292K mutation reduces drug binding affinity | Q41898107 | ||
| Mechanism of voltage gating in potassium channels | Q42644041 | ||
| Structural Optimization and Biological Evaluation of Substituted Bisphenol A Derivatives as β-Amyloid Peptide Aggregation Inhibitors | Q42946904 | ||
| Why are oseltamivir and zanamivir effective against the newly emerged influenza A virus (A/H1N1)? | Q43273313 | ||
| Identification of cholesterol binding sites in the serotonin1A receptor. | Q43776361 | ||
| Cholesterol-β1 AR interaction versus cholesterol-β2 AR interaction | Q44352138 | ||
| PIP(2) activates KCNQ channels, and its hydrolysis underlies receptor-mediated inhibition of M currents | Q44386912 | ||
| A 3D model of SARS_CoV 3CL proteinase and its inhibitors design by virtual screening. | Q44468486 | ||
| The orientation and molecular movement of a k(+) channel voltage-sensing domain. | Q44671451 | ||
| A proton pore in a potassium channel voltage sensor reveals a focused electric field | Q44757373 | ||
| In vitro biochemical and thermodynamic characterization of nucleocapsid protein of SARS. | Q45121729 | ||
| Severe acute respiratory syndrome coronavirus 3C-like proteinase N terminus is indispensable for proteolytic activity but not for enzyme dimerization. Biochemical and thermodynamic investigation in conjunction with molecular dynamics simulations | Q45126666 | ||
| Impaired KCNQ1-KCNE1 and phosphatidylinositol-4,5-bisphosphate interaction underlies the long QT syndrome | Q45299790 | ||
| Anti-inflammatory activities of Sieboldogenin from Smilax china Linn.: experimental and computational studies | Q46247764 | ||
| Transmembrane movement of the shaker K+ channel S4. | Q46456961 | ||
| Molecular analysis of PIP2 regulation of HERG and IKr. | Q47255606 | ||
| Nucleocapsid protein of SARS coronavirus tightly binds to human cyclophilin A. | Q47929475 | ||
| Visualization of A beta 42(43) and A beta 40 in senile plaques with end-specific A beta monoclonals: evidence that an initially deposited species is A beta 42(43). | Q48092766 | ||
| Isoform-specific prolongation of Kv7 (KCNQ) potassium channel opening mediated by new molecular determinants for drug-channel interactions | Q34107486 | ||
| Pharmacophore-based virtual screening and biological evaluation of small molecule inhibitors for protein arginine methylation | Q34113450 | ||
| In-silico studies in Chinese herbal medicines' research: evaluation of in-silico methodologies and phytochemical data sources, and a review of research to date | Q34156604 | ||
| A portrait of Alzheimer secretases--new features and familiar faces | Q34345559 | ||
| The re-emergence of natural products for drug discovery in the genomics era. | Q34459318 | ||
| A role for direct interactions in the modulation of rhodopsin by omega-3 polyunsaturated lipids. | Q34596621 | ||
| TarFisDock: a web server for identifying drug targets with docking approach | Q34974340 | ||
| Molecular dynamics-based virtual screening: accelerating the drug discovery process by high-performance computing | Q34977641 | ||
| Solid-state NMR studies of amyloid fibril structure | Q35327629 | ||
| TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds | Q35562182 | ||
| Subtype-specific beta-adrenoceptor signaling pathways in the heart and their potential clinical implications | Q35818811 | ||
| Varied Probability of Staying Collapsed/Extended at the Conformational Equilibrium of Monomeric Aβ40 and Aβ42 | Q36156295 | ||
| PIP2 controls voltage-sensor movement and pore opening of Kv channels through the S4-S5 linker | Q36221822 | ||
| Drug repositioning for personalized medicine. | Q36245193 | ||
| Histidine scanning mutagenesis of basic residues of the S4 segment of the shaker k+ channel | Q36444662 | ||
| Predictions for cholesterol interaction sites on the A2A adenosine receptor | Q36838702 | ||
| Phosphatidylinositol 4,5-bisphosphate alters pharmacological selectivity for epilepsy-causing KCNQ potassium channels | Q36884049 | ||
| Regulation of ion transport proteins by membrane phosphoinositides | Q36986504 | ||
| The gating charge pathway of an epilepsy-associated potassium channel accommodates chemical ligands | Q37172414 | ||
| PIP2 is a necessary cofactor for ion channel function: how and why? | Q37197976 | ||
| Target flexibility: an emerging consideration in drug discovery and design | Q37240137 | ||
| Dynamic PIP2 interactions with voltage sensor elements contribute to KCNQ2 channel gating | Q37395175 | ||
| K63-linked polyubiquitination of transcription factor IRF1 is essential for IL-1-induced production of chemokines CXCL10 and CCL5. | Q37686404 | ||
| Feature combination networks for the interpretation of statistical machine learning models: application to Ames mutagenicity | Q37720371 | ||
| Channelopathies linked to plasma membrane phosphoinositides. | Q37732004 | ||
| Targeting the glucagon receptor family for diabetes and obesity therapy | Q38015679 | ||
| The emerging role of cloud computing in molecular modelling | Q38120156 | ||
| Computational methods for drug design and discovery: focus on China | Q38137563 | ||
| The cloud and other new computational methods to improve molecular modelling. | Q38242056 | ||
| Astemizole arrests the proliferation of cancer cells by disrupting the EZH2-EED interaction of polycomb repressive complex 2. | Q38942869 | ||
| Identifying novel selective non-nucleoside DNA methyltransferase 1 inhibitors through docking-based virtual screening | Q38946193 | ||
| Structure-based design and synthesis of C-1- and C-4-modified analogs of zanamivir as neuraminidase inhibitors | Q39482965 | ||
| Synthesis of C-4-modified zanamivir analogs as neuraminidase inhibitors and their anti-AIV activities | Q39586225 | ||
| P275 | copyright license | Creative Commons Attribution 4.0 International | Q20007257 |
| P6216 | copyright status | copyrighted | Q50423863 |
| P433 | issue | 1 | |
| P921 | main subject | high-performance computing | Q1190465 |
| drug discovery | Q1418791 | ||
| P304 | page(s) | 49-63 | |
| P577 | publication date | 2016-01-11 | |
| P1433 | published in | National Science Review | Q27725628 |
| P1476 | title | Applying high-performance computing in drug discovery and molecular simulation | |
| P478 | volume | 3 |
| Q99709309 | Inhibitory Activity of Quercetin 3-O-Arabinofuranoside and 2-Oxopomolic Acid Derived from Malus domestica on Soluble Epoxide Hydrolase |
| Q91844976 | The inhibitory mechanism of aurintricarboxylic acid targeting serine/threonine phosphatase Stp1 in Staphylococcus aureus: insights from molecular dynamics simulations |
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