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#TitleJournalYearCitations
1Grid inhomogeneous solvation theory: Hydration structure and thermodynamics of the miniature receptor cucurbit[7]urilJournal of Chemical Physics2012258
2Src activation by β-adrenoreceptors is a key switch for tumour metastasisNature Communications2013174
3Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screeningPLoS ONE2019144
4Thermodynamics of Water in an Enzyme Active Site: Grid-Based Hydration Analysis of Coagulation Factor XaJournal of Chemical Theory and Computation2014117
5Solvation thermodynamic mapping of molecular surfaces in AmberTools: GISTJournal of Computational Chemistry201695
6A covalently linked phenanthridine–ruthenium(ii) complex as a RNA probeChemical Communications200985
7Evolution of Complex Target SELEX to Identify Aptamers against Mammalian Cell-Surface AntigensMolecules201770
8Testing inhomogeneous solvation theory in structure-based ligand discoveryProceedings of the National Academy of Sciences of the United States of America201765
9Core/shell nanoparticles as hybrid platforms for the fabrication of a hydrogen peroxide biosensorJournal of Materials Chemistry201056
10Ligand-Guided Selection of Target-Specific Aptamers: A Screening Technology for Identifying Specific Aptamers Against Cell-Surface ProteinsNucleic Acid Therapeutics201652
11Mental retardation linked to mutations in the HSD17B10 gene interfering with neurosteroid and isoleucine metabolismProceedings of the National Academy of Sciences of the United States of America200946
12Metabolic Profiling of Different Parts of Acer truncatum from the Mongolian Plateau Using UPLC-QTOF-MS with Comparative Bioactivity AssaysJournal of Agricultural and Food Chemistry201943
13Corrosion Protection of AISI 304 Stainless Steel with Melting Gel CoatingsElectrochimica Acta201642
14Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics TrajectoriesJournal of Chemical Theory and Computation201840
15Ligand-guided selection of aptamers against T-cell Receptor-cluster of differentiation 3 (TCR-CD3) expressed on Jurkat.E6 cellsAnalytical Biochemistry201635
16Methyl modified siloxane melting gels for hydrophobic filmsJournal of Sol-Gel Science and Technology201034
17Thermal analysis of organically modified siloxane melting gelsJournal of Thermal Analysis and Calorimetry201234
18Spatial Decomposition of Translational Water–Water Correlation Entropy in Binding PocketsJournal of Chemical Theory and Computation201634
19Enthalpic Breakdown of Water Structure on Protein Active-Site SurfacesJournal of Physical Chemistry B201633
20Simulating Water Exchange to Buried Binding SitesJournal of Chemical Theory and Computation201933
21Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen–Hydrogen CorrelationsJournal of Chemical Theory and Computation201531
22Deriving Efficient Porous Heteroatom‐Doped Carbon Electrocatalysts for Hydrazine Oxidation from Transition Metal Ions‐Coordinated CaseinAdvanced Functional Materials201931
23Hybrid Sol–Gel Glasses with Glass‐Transition Temperatures Below Room TemperatureJournal of the American Ceramic Society201529
24Parameterization of an effective potential for protein–ligand binding from host–guest affinity dataJournal of Molecular Recognition201627
25Consolidated Melting Gel Coatings on AZ31 Magnesium Alloy with Excellent Corrosion Resistance in NaCl Solutions: An Interface StudyACS Applied Materials & Interfaces201926
26Water Pharmacophore: Designing Ligands using Molecular Dynamics Simulations with WaterScientific Reports201825
27Inhibition of subtilisin by substituted arylboronic acidsFEBS Letters198124
28Systematic Optimization and Modification of a DNA Aptamer with 2’‐O‐Methyl RNA AnaloguesChemistrySelect201724
29Rational Design and Characterization of D-Phe-Pro-D-Arg-Derived Direct Thrombin InhibitorsPLoS ONE201223
30Organic–inorganic hybrid melting gelsJournal of Sol-Gel Science and Technology201022
31Structural optimization of an aptamer generated from Ligand-Guided Selection (LIGS) resulted in high affinity variant toward mIgM expressed on Burkitt's lymphoma cell linesBiochimica Et Biophysica Acta - General Subjects201722
32A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active sitePLoS ONE201922
33Dimerization of an aptamer generated from Ligand-guided selection (LIGS) yields a high affinity scaffold against B-cellsBiochimica Et Biophysica Acta - General Subjects201922
34Can the scanning tunneling microscope sequence DNA?Genetic Analysis, Techniques and Applications199120
35Strategies for delivering porphyrinoid-based photosensitizers in therapeutic applicationsTherapeutic Delivery201419
36Integrating Ligand-Receptor Interactions and In Vitro Evolution for Streamlined Discovery of Artificial Nucleic Acid LigandsMolecular Therapy - Nucleic Acids201919
37Ligand-Guided Selection with Artificially Expanded Genetic Information Systems against TCR-CD3εBiochemistry202019
38Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation TheoryJournal of Chemical Theory and Computation202119
39A combined treatment of hydration and dynamical effects for the modeling of host–guest binding thermodynamics: the SAMPL5 blinded challengeJournal of Computer-Aided Molecular Design201718
4029Si NMR and SAXS investigation of the hybrid organic–inorganic glasses obtained by consolidation of the melting gelsDalton Transactions201717
41Engineered Aptamers to Probe Molecular Interactions on the Cell SurfaceBiomedicines201717
42Regulation by heme of the synthesis of cytochrome c oxidase subunits V and VII in yeastBiochemical and Biophysical Research Communications198512
43Metabolomics and protozoan parasitesActa Parasitologica201312
44A Homodimeric Aptamer Variant Generated from Ligand-Guided Selection Activates the T Cell Receptor Cluster of Differentiation 3 ComplexMolecular Therapy - Nucleic Acids202012
45SIMULTANEOUS OBSERVATIONS OF GIANT PULSES FROM PULSAR PSR B0950+08 AT 42 AND 74 MHzAstronomical Journal201611
46Thermal behavior of Li–Co-citric acid water-based gels as precursors for LiCoO2 powdersJournal of Thermal Analysis and Calorimetry201510
47New Dopamine D3-Selective Receptor Ligands Containing a 6-Methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol MotifACS Medicinal Chemistry Letters20188
48Ligand Guided Selection (LIGS) of Artificial Nucleic Acid Ligands against Cell Surface TargetsACS Applied Bio Materials20208
49Study of formation of LiCoO2 using a modified Pechini aqueous sol–gel processJournal of Sol-Gel Science and Technology20157
50Role of Displacing Confined Solvent in the Conformational Equilibrium of β-CyclodextrinJournal of Physical Chemistry B20196