about
The tumor inhibitor and antiangiogenic agent withaferin A targets the intermediate filament protein vimentinMost efficient cocaine hydrolase designed by virtual screening of transition statesDesign, preparation, and characterization of high-activity mutants of human butyrylcholinesterase specific for detoxification of cocaine.Structure-based rational quest for potential novel inhibitors of human HMG-CoA reductase by combining CoMFA 3D QSAR modeling and virtual screening.Fundamental reaction pathway and free energy profile for hydrolysis of intracellular second messenger adenosine 3',5'-cyclic monophosphate (cAMP) catalyzed by phosphodiesterase-4.Reaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (-)-CocaineFundamental reaction mechanism and free energy profile for (-)-cocaine hydrolysis catalyzed by cocaine esteraseA highly efficient cocaine-detoxifying enzyme obtained by computational design.Formation and stability of G-quadruplexes self-assembled from guanine-rich strands.Understanding microscopic binding of human microsomal prostaglandin E synthase-1 (mPGES-1) trimer with substrate PGH2 and cofactor GSH: insights from computational alanine scanning and site-directed mutagenesisIs it possible to reverse aged acetylcholinesterase inhibited by organophosphorus compounds? Insight from the theoretical study.Free Energies of Solvation with Surface, Volume, and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation Shell.Human microsomal prostaglandin E synthase-1 (mPGES-1) binding with inhibitors and the quantitative structure-activity correlation.Why does the G117H mutation considerably improve the activity of human butyrylcholinesterase against sarin? Insights from quantum mechanical/molecular mechanical free energy calculations.Reaction pathway and free energy profiles for butyrylcholinesterase-catalyzed hydrolysis of acetylthiocholine.Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesteraseReaction pathway and free energy profile for butyrylcholinesterase-catalyzed hydrolysis of acetylcholine.Tricyclic Polyprenylated Acylphloroglucinols from St John's Wort, Hypericum perforatum.Scapiformolactones A-I: germacrane sesquiterpenoids with an unusual Δ3-15,6-lactone moiety from Salvia scapiformis.Fast and Reliable Thermodynamic Approach for Determining the Protonation State of the Asp Dyad.Determination of the Bridging Ligand in the Active Site of Tyrosinase.Bioassay-Guided Isolation of Antibacterial Metabolites from Emericella sp. TJ29.Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.Determination of the protonation state of the Asp dyad: conventional molecular dynamics versus thermodynamic integration.Schincalactones A and B, Two 5/5/6/11/3 Fused Schinortriterpenoids with a 13-Membered Carbon Ring System from Schisandra incarnata.Manginoids A-G: Seven Monoterpene-Shikimate-Conjugated Meroterpenoids with a Spiro Ring System from Guignardia mangiferae.Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle.Two New Terpenoids from Talaromyces purpurogenus.Parasubindoles A-G, Seven Eremophilanyl Indoles from the Whole Plant of Parasenecio albusCytochathiazines A-C: Three Merocytochalasans with a 2 H-1,4-Thiazine Functionality from Coculture of Chaetomium globosum and Aspergillus flavipesBioactive polycyclic polyprenylated acylphloroglucinols from Hypericum perforatumAnti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicolaProtoilludane, Illudalane, and Botryane Sesquiterpenoids from the Endophytic Fungus Phomopsis sp. TJ507AAsperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolorAspergilasines A–D: Four Merocytochalasans with New Carbon Skeletons from Aspergillus flavipes QCS12Fusicoccane-Derived Diterpenoids from Alternaria brassicicola: Investigation of the Structure–Stability Relationship and Discovery of an IKKβ InhibitorMollebenzylanols A and B, Highly Modified and Functionalized Diterpenoids with a 9-Benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane Core from Rhododendron molleUnexpected protonation state of Glu197 discovered from simulations of tacrine in butyrylcholinesteraseFungal Polyketides with Three Distinctive Ring Skeletons from the Fungus Penicillium canescens Uncovered by OSMAC and Molecular Networking Strategies
P50
Q24633116-58A0464A-2100-4CD0-B9FE-B0224B660641Q24649976-544ACA57-5BA5-4297-A87A-A5772D892562Q34552012-D187A697-EF46-4E9F-A7B2-C30888001283Q34598604-4A21926B-FC59-4939-8FCE-6C6892538958Q35532041-764F19FE-31F6-4A80-84A6-A63365CFE0A8Q36311751-935F6175-C8F1-46A7-B71E-99454A9D69CEQ37335093-98A764ED-FD66-4894-9625-C16B71AE6FF9Q37718522-3642EB97-2EEE-4004-9B2E-C0832C78F0E5Q38308619-D0A95760-3FF9-4B67-971C-70B438C1C0EBQ39885590-FB3C70FB-0D84-4C73-82BB-863D87568C01Q39900733-E92E6333-96C7-428F-9E4F-B8897C79F559Q40099614-B7EAC5DD-FD9B-4EAB-B36E-C0F4D0A7E558Q40147750-54A4A6FA-3329-4792-8EF3-8BAF7F31F1A3Q41130390-CAF670F1-0F09-497C-857D-67CD350E991CQ41832990-0F868538-4BCA-42F5-8283-2E0789E6F187Q41833021-A90D9528-F8B4-4B99-91D8-C76833DAB615Q42159124-5EA3698D-4383-4D18-8CB4-6C93C0F18922Q43976337-586F2371-DB5B-43D2-8EF6-8A3BCA28B477Q46121380-5A6CB8D4-2849-4A6B-9D25-6D242CD2DB86Q47715846-C8F3624C-37FD-4EDC-A777-1477F04A3E46Q47794958-08995214-51BA-4AAF-B427-8D428B4D39B3Q47992489-48228C2F-A478-42C7-A9EB-B067C217E37EQ47997535-31DFF640-A196-41B2-A481-05680B169B91Q48217117-727D71B6-DA29-49B0-AAD1-071D012A8E17Q50711267-39FAC8F2-7999-411E-8B78-B0F9F1EB3D36Q52596671-0A16DF87-7849-4F57-9D19-389C028230F5Q52971406-7BFC08BC-40BC-45E7-ABC4-6F932EE7411BQ53057833-D396BE06-57C6-45F5-9625-A7716F8A6452Q55236963-441136F5-2A77-4DF0-86B2-92AFE66FFA60Q56983236-5075DFF4-960B-4E52-B80F-7F8D300B64F4Q57814525-03EB0F9D-839D-49F6-AC28-7F1B2DCBCD8CQ58600528-D5DF3035-7B7A-4E04-A9CC-579999C422DAQ58608349-B656EB1D-313B-435F-BA9A-15590D25D922Q78311346-E3D12503-9F11-4CC8-BBF9-5B3E387C305FQ78318947-7050DC80-BA2A-4CC2-9751-A5F9BCC5B534Q78319261-EBE2DC43-2113-4176-8CA8-E21FCA3BBAAFQ78319367-A0A0A361-9757-4BB3-9DEB-E4A4B8A7BD0BQ88038018-D7284339-2B45-4E9B-8DC6-EBAB0CF12A85Q88770096-AF2CC47C-1E00-42C1-8725-260EC9126948Q89969059-7AE22F24-4F10-44C1-A86E-6B032390A30E
P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Junjun Liu
@ast
Junjun Liu
@en
Junjun Liu
@es
Junjun Liu
@nl
type
label
Junjun Liu
@ast
Junjun Liu
@en
Junjun Liu
@es
Junjun Liu
@nl
prefLabel
Junjun Liu
@ast
Junjun Liu
@en
Junjun Liu
@es
Junjun Liu
@nl
P106
P1153
35272795200
P31
P496
0000-0001-9953-8633