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2015, Topics in medicinal chemistry, ISBN 3319140604, Volume 14
Web Resource
2016, Biomedical science, ISBN 9781482217834, xv, 526
In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications provides a comprehensive, unified, and in-depth overview of the current... 
chemistry | Models, Molecular | Small Molecule Libraries | Drug Discovery | methods | Drug development | Medicine: General Issues | Pharmacology | Biopharmaceutics | Small Molecule Libraries - chemistry
Book
Analytical Chemistry, ISSN 0003-2700, 02/2006, Volume 78, Issue 3, pp. 779 - 787
Journal Article
2012, Methods in molecular biology, ISBN 1617795879, Volume 857
Web Resource
Molecular & Cellular Proteomics, ISSN 1535-9476, 06/2005, Volume 4, Issue 6, pp. 752 - 761
We developed a new computational algorithm for the accurate identification of ligand binding envelopes rather than surface binding sites. We performed a large... 
CAVITIES | BIOCHEMICAL RESEARCH METHODS | DRUG DESIGN | SITES | PROTEIN DATA-BANK | MOLECULAR DOCKING | PREDICTION | Sequence Homology | Computational Biology - methods | Algorithms | Models, Chemical | Models, Molecular | Ligands | Protein Conformation | Structure-Activity Relationship | Proteins - chemistry | Binding Sites | Cluster Analysis | Databases, Factual | Index Medicus
Journal Article
Conference Proceeding
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 06/2019, Volume 59, Issue 6, pp. 3006 - 3017
Multitarget pharmacology of small-molecule cancer drugs significantly contributes to their mechanism of action, side effects, and emergence of drug resistance... 
TARGET | CHEMISTRY, MEDICINAL | COMPUTER SCIENCE, INFORMATION SYSTEMS | GENE ONTOLOGY | CANCER | CHEMISTRY, MULTIDISCIPLINARY | DISCOVERY | ENCYCLOPEDIA | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | NETWORK PHARMACOLOGY | DATABASE | LIGANDS | SITES | INHIBITOR | Drugs | Side effects | Chemotherapy | Pharmacology | Maps | Cancer
Journal Article
Immunity, ISSN 1074-7613, 06/2017, Volume 46, Issue 6, pp. 1005 - 1017.e5
CCR5 is the primary chemokine receptor utilized by HIV to infect leukocytes, whereas CCR5 ligands inhibit infection by blocking CCR5 engagement with HIV gp120.... 
maraviroc | V3 loop | CCL5/RANTES | G protein-coupled receptor (GPCR) | Chemokine antagonist | CCR5-gp120 interaction | viral mimicry | membrane protein structure | two-site model | HIV entry inhibitor | CCR5 Receptor Antagonists - chemistry | CCR5 Receptor Antagonists - pharmacology | Triazoles - chemistry | Cyclohexanes - pharmacology | HIV Fusion Inhibitors - chemistry | Humans | Crystallography, X-Ray | Structure-Activity Relationship | Virus Internalization - drug effects | HIV Envelope Protein gp120 - metabolism | Spodoptera | Chemokine CCL5 - chemistry | HIV Infections - immunology | Molecular Mimicry | Receptors, CCR5 - metabolism | Sf9 Cells | HIV-1 - physiology | Cloning, Molecular | Cyclohexanes - chemistry | Chemokine CCL5 - metabolism | HIV Envelope Protein gp120 - chemistry | Models, Molecular | Triazoles - pharmacology | Animals | Protein Binding | Receptors, CCR5 - chemistry | HIV Infections - drug therapy | Protein Conformation | Hydrogen | Analysis | Pharmacy | Therapeutics | Drugstores | HIV (Viruses) | Drug approval | Homeopathy | Materia medica and therapeutics | G proteins | Membrane proteins | Similarity | Molecular structure | Infections | Leukocytes | Hydrogen bonding | Mimicry | Exploitation | Proteins | Hydrogen bonds | Design improvements | Human immunodeficiency virus--HIV | Plasticity | Chemical bonds | Modelling | Binding | CCR5 protein | Diseases | Molecular modelling | Inhibitors | Ligands | Determinants | Plastic properties | Molecular biology | Chemokines | Glycoprotein gp120 | Recognition | Cancer | Index Medicus | BASIC BIOLOGICAL SCIENCES | 60 APPLIED LIFE SCIENCES | RANTES | CCL5
Journal Article
Science, ISSN 0036-8075, 03/2015, Volume 347, Issue 6226, pp. 1117 - 1122
Chemokines and their receptors control cell migration during development, immune system responses, and in numerous diseases, including inflammation and cancer.... 
HIV-1 | CELL-DERIVED FACTOR-1-ALPHA | LYMPHOPOIESIS | SMALL-MOLECULE | CC-CHEMOKINE | MYELOPOIESIS | MULTIDISCIPLINARY SCIENCES | IMMUNODEFICIENCY-VIRUS TYPE-1 | VMIP-II | SULFOTYROSINE RECOGNITION | BINDING | Proteins | Protein research | Viral proteins | Physiological aspects | Research | Structure | Chemokines | Membranes | Crystal structure | Immune systems | Binding | Receptors | Ligands | Chemokine receptors | Diseases
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 08/2010, Volume 132, Issue 33, pp. 11443 - 11445
Journal Article
Proteins: Structure, Function and Genetics, ISSN 0887-3585, 1997, Volume 29, Issue 1, pp. 215 - 220
Journal Article