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1. Full Text A molecular interaction field describing nonconventional intermolecular interactions and its application to protein–ligand interaction prediction
by Hayakawa, Daichi and Sawada, Nahoko and Watanabe, Yurie and Gouda, Hiroaki
Journal of molecular graphics & modelling, ISSN 1093-3263, 05/2020, Volume 96, pp. 107515 - 107515
Nonconventional hydrogen bonds | Halogen bonds | Molecular interaction field | Structure-based drug design | Protein–ligand binding | Biochemistry & Molecular Biology | Physical Sciences | Computer Science, Interdisciplinary Applications | Life Sciences & Biomedicine | Technology | Biochemical Research Methods | Computer Science | Crystallography | Science & Technology | Mathematical & Computational Biology | Index Medicus
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2. Full Text Dynamic protein ligand interactions – insights from MS
by Schmidt, Carla and Robinson, Carol V
The FEBS journal, ISSN 1742-464X, 04/2014, Volume 281, Issue 8, pp. 1950 - 1964
protein–ligand interactions | hydrogen–deuterium exchange | proteomics | MS | hydroxyl radical footprinting | protein complexes | crosslinking | hydrogen-deuterium exchange | protein-ligand interactions | Life Sciences & Biomedicine | Biochemistry & Molecular Biology | Science & Technology | Proteins - metabolism | Hydroxyl Radical - chemistry | Models, Biological | Humans | Hydroxyl Radical - metabolism | Proteins - chemistry | Proteomics - methods | Mass Spectrometry - methods | Proteins | Hydrogen | Carbohydrates | Ligands | Cellular biology | Molecular biology | Mass spectrometry | Index Medicus | Minireview | Minireviews
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3. Full Text Structure and Energetics of Ligand–Fluorine Interactions with Galectin‐3 Backbone and Side‐Chain Amides: Insight into Solvation Effects and Multipolar Interactions
by Kumar, Rohit and Ignjatović, Majda Misini and Peterson, Kristoffer and Olsson, Martin and Leffler, Hakon and Ryde, Ulf and Nilsson, Ulf J and Logan, Derek T
ChemMedChem, ISSN 1860-7179, 08/2019, Volume 14, Issue 16, pp. 1528 - 1536
fluorine–amide interactions | protein–ligand interactions | quantum mechanics | galectin-3 | medicinal chemistry | Backbone | Fluorine | Fluorescence | Amides | Chains | Proteins | Solvation | Anisotropy | Binding energy | Quantum mechanics | Affinity | Ligands | Fluorination | Index Medicus | Full Paper | Full Papers | Naturvetenskap | Kemi | Theoretical Chemistry | Natural Sciences | Teoretisk kemi | Chemical Sciences
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4. Full Text Systematic Investigation of Halogen Bonding in Protein–Ligand Interactions
by Hardegger, Leo A and Kuhn, Bernd and Spinnler, Beat and Anselm, Lilli and Ecabert, Robert and Stihle, Martine and Gsell, Bernard and Thoma, Ralf and Diez, Joachim and Benz, Jörg and Plancher, Jean‐Marc and Hartmann, Guido and Banner, David W and Haap, Wolfgang and Diederich, François
Angewandte Chemie (International ed.), ISSN 1433-7851, 01/2011, Volume 50, Issue 1, pp. 314 - 318
molecular recognition | protein–ligand interactions | structure–activity relationships | halogen bonding | medicinal chemistry | protein-ligand interactions | structure-activity relationships | Halogens - metabolism | Thermodynamics | Catalytic Domain | Chemistry, Pharmaceutical - methods | Proteins - metabolism | Ligands | Halogens - analysis | Halogens - chemistry | Proteins - analysis | Structure-Activity Relationship | Proteins - chemistry | Index Medicus
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5. Full Text An iterative knowledge‐based scoring function to predict protein–ligand interactions: I. Derivation of interaction potentials
by Huang, Sheng‐You and Zou, Xiaoqin
Journal of computational chemistry, ISSN 0192-8651, 11/2006, Volume 27, Issue 15, pp. 1866 - 1875
statistical potentials | knowledge‐based | protein–ligand interactions | scoring function | ligand binding | Knowledge-based | Ligand binding | Statistical potentials | Protein-ligand interactions | Scoring function | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Protein Binding | Thermodynamics | Ligands | Proteins - metabolism | Proteins - chemistry | Models, Chemical | Proteins | Studies | Chemical reactions | Molecular structure | Expert systems | Index Medicus
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6. Full Text NMR-based analysis of protein–ligand interactions
by Cala, Olivier and Cala, Olivier and Guillière, Florence and Guillière, Florence and Krimm, Isabelle and Krimm, Isabelle
Analytical and bioanalytical chemistry, ISSN 1618-2642, 2/2014, Volume 406, Issue 4, pp. 943 - 956
Biochemistry, general | Protein–ligand interactions | Chemistry | Analytical Chemistry | Food Science | NMR screening | Transferred nuclear Overhauser effect | Saturation transfer difference | Characterization and Evaluation of Materials | Water–ligand observed via gradient spectroscopy | Laboratory Medicine | Environmental Monitoring/Analysis | Protein-ligand interactions | Water-ligand observed via gradient spectroscopy | Biochemistry & Molecular Biology | Physical Sciences | Life Sciences & Biomedicine | Biochemical Research Methods | Chemistry, Analytical | Science & Technology | Protein Binding | Receptors, Cell Surface - metabolism | Ligands | Receptors, Cell Surface - chemistry | Animals | Magnetic Resonance Spectroscopy - methods | Protein research | Ligands (Biochemistry) | Physiological aspects | Nuclear magnetic resonance spectroscopy | Research | Methods | Protein-protein interactions | Index Medicus | Proteins | Spectroscopy | Mathematical analysis | Saturation | Overhauser effect | Affinity | Biology | Nuclear magnetic resonance | Analytical chemistry | Life Sciences | Biomolecules | Biochemistry, Molecular Biology | Chemical Sciences
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7. Full Text Split‐BioID: a proximity biotinylation assay for dimerization‐dependent protein interactions
by De Munter, Sofie and Görnemann, Janina and Derua, Rita and Lesage, Bart and Qian, Junbin and Heroes, Ewald and Waelkens, Etienne and Van Eynde, Aleyde and Beullens, Monique and Bollen, Mathieu
FEBS letters, ISSN 0014-5793, 01/2017, Volume 591, Issue 2, pp. 415 - 424
reporter‐fragment complementation | biotinylation | proximity labeling | protein–ligand screening | phosphatase‐substrate mapping | phosphatase-substrate mapping | reporter-fragment complementation | Biochemistry & Molecular Biology | Biophysics | Life Sciences & Biomedicine | Science & Technology | Cell Biology | Reproducibility of Results | Biotinylation | Humans | HEK293 Cells | Biological Assay - methods | Dimerization | Genetic Complementation Test | Protein Interaction Mapping | Index Medicus
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8. Full Text Quantitative analysis of protein-ligand interactions by NMR
by Furukawa, Ayako and Konuma, Tsuyoshi and Yanaka, Saeko and Sugase, Kenji
Progress in nuclear magnetic resonance spectroscopy, ISSN 0079-6565, 08/2016, Volume 96, pp. 47 - 57
Relaxation | Chemical shift timescale | Chemical exchange | Kinetics | Protein-ligand interaction | Spectroscopy | Physical Sciences | Chemistry | Technology | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Biophysical Phenomena | Nuclear Magnetic Resonance, Biomolecular - methods | Protein Binding | Ligands | Proteins - analysis | Proteins - chemistry | Analysis | Nuclear magnetic resonance | Protein binding | Index Medicus
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9. Full Text Cl–π interactions in protein–ligand complexes
by Imai, Yumi N and Inoue, Yoshihisa and Nakanishi, Isao and Kitaura, Kazuo
Protein science, ISSN 0961-8368, 07/2008, Volume 17, Issue 7, pp. 1129 - 1137
ab initio calculation | dispersion interaction | Protein Data Bank (PDB) | interaction | Cl–π | protein–ligand interaction | Ab initio calculation | Dispersion interaction | Cl-π interaction | Protein-ligand interaction
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