Quick guideline for computational drug design (Revised Edition) /:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Weitere Verfasser: | , |
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Singapore :
Bentham Science Publishers,
2021.
|
| Ausgabe: | Revised edition. |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | 1 online resource (126 pages) : illustrations |
| Bibliographie: | Includes bibliographical references and index. |
| ISBN: | 9814998699 9789814998697 |
Internformat
MARC
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| 100 | 1 | |a Sehgal, Sheikh Arslan. | |
| 245 | 1 | 0 | |a Quick guideline for computational drug design (Revised Edition) / |c authored by Sheikh Arslan Sehgal, Rana Adnan Tahir, and Muhammad Waqas. |
| 250 | |a Revised edition. | ||
| 264 | 1 | |a Singapore : |b Bentham Science Publishers, |c 2021. | |
| 300 | |a 1 online resource (126 pages) : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 504 | |a Includes bibliographical references and index. | ||
| 505 | 0 | |a Cover -- Title -- Copyright -- End User License Agreement -- Contents -- Foreword -- Preface -- CONSENT FOR PUBLICATION -- CONFLICT OF INTEREST -- ACKNOWLEDGEMENTS -- Dedication -- Introduction to Structural Bioinformatics -- MOTIVATION -- BIOINFORMATICS -- Bioinformatics Approaches -- Static -- Dynamic -- Structural Bioinformatics -- Software and Tools -- Open-source Bioinformatics Software -- Web Services in Bioinformatics -- Virtual Screening -- Homology Modeling -- Steps of Homology Modeling -- Accuracy -- Importance of Homology modeling -- Homology Modeling Tools -- UniProt KB -- Structure Prediction Tools -- Model Validation Tools -- Sequence Analysis Tools -- Model Visualization Tools -- Virtual Screening and Docking -- Recent Advancements in Computational Drug Design -- REFERENCES -- Protein Primary Sequence Analysis -- MOTIVATION -- PROTPARAM EXPASY -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- LIMITATIONS OF PRIMARY SEQUENCE ANALYSES -- ProtParam Expassy -- REFERENCE -- Secondary Structure Analyses -- MOTIVATION -- SECONDARY STRUCTURE OF PROTEINS -- PROFUNC -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing of Data -- LIMITATIONS OF SECONDARY STRUCTURE ANALYSES TOOLS -- ProFunc -- REFERENCES -- 3D Structure Prediction -- MOTIVATION -- STRUCTURE PREDICTION TOOLS -- PHYRE2 -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (RESULTS SCREEN) -- Secondary Structure and Disorder Prediction -- Domain Analysis -- Detailed Template Information -- Alignment View -- CONCLUSION -- I-TASSER -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- Structure Prediction. | |
| 505 | 8 | |a Top 10 Threading Templates Used by I-TASSER -- Top 5 Final Model Predicted by I-TASSER -- Structurally Closely Related Protein -- Ligand Binding Site -- CONCLUSION -- RaptorX -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- Input Sequence and Domain Partition -- Prediction Results -- Detailed Prediction Results -- SWISS-MODEL -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (RESULTS SCREEN) -- Summary -- Templates -- Models -- CONCLUSION -- 3D-JIGSAW -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION -- CONCLUSION -- INTFOLD2 -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- HHPRED -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- M4T -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- MODELLER -- Introduction -- Downloading and Installation -- Modeling Steps -- Searching for Structures Related to PSEN2 -- BLAST (BASIC LOCAL ALIGNMENT SEARCHING TOOL) -- Template PDB File -- Aligning PSEN2 with the Template -- Model Building -- LIMITATIONS OF STRUCTURE PREDICTION TOOLS -- Phyre2 -- I-Tasser -- RaptorX -- Swiss-model -- 3D-Jigsaw -- Intfold2 -- M4T -- Modeller -- REFERENCES -- Protein 3D Structure Assessment, Evaluation, and Validation -- MOTIVATION -- MODEL EVALUATION TOOLS -- ERRAT -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (OUTPUT). | |
| 505 | 8 | |a CONCLUSION -- RAMPAGE -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- ANOLEA -- Introduction -- Brief Instructions -- Requirements -- Input -- RESULTS INTERPRETATION -- CONCLUSION -- MOL PROBITY -- Introduction -- Brief Instructions -- Requirements -- Input -- RESULTS INTERPRETATION -- CONCLUSION -- VERIFY 3D -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- PDBSUM GENERATE -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION -- Output -- Customization of Plots -- LIMITATIONS OF STRUCTURE EVALUATION TOOLS ERRAT -- Rampage -- Verify3D -- Pdbsum -- REFERENCES -- Ligand-Based Computational Molecular Docking Analysis -- INTRODUCTION -- Brief Instruction: MOE (Molecular Operating Environment) -- REFERENCES -- Protein-Ligand Interactions -- MOTIVATION -- Molecular Operating Environment (MOE) -- Protein-Ligand Complex -- 3D Structure Visualization through MOE -- Load and Visualize the Complex -- Selection Panel -- Protein Active Site and Rendering -- Active Site -- Rendering -- Ribbon Panel -- Atoms Panel -- Contacts Panel -- Fog and ZClip -- Molecular Surfaces and Maps -- 2D Ligand Interaction Diagram -- Rendering and Export Image -- REFERENCE -- Subject Index -- Back Cover. | |
| 650 | 0 | |a Drugs |x Design. |0 http://id.loc.gov/authorities/subjects/sh88001157 | |
| 650 | 0 | |a Computer-aided design. |0 http://id.loc.gov/authorities/subjects/sh85029476 | |
| 650 | 2 | |a Drug Design |0 https://id.nlm.nih.gov/mesh/D015195 | |
| 650 | 2 | |a Computer-Aided Design |0 https://id.nlm.nih.gov/mesh/D017076 | |
| 650 | 6 | |a Médicaments |x Conception. | |
| 650 | 6 | |a Conception assistée par ordinateur. | |
| 650 | 7 | |a computer-aided design (process) |2 aat | |
| 650 | 7 | |a Drugs |x Design |2 fast | |
| 700 | 1 | |a Tahir, Rana Adnan. | |
| 700 | 1 | |a Waqas, Muhammad. | |
| 758 | |i has work: |a QUICK GUIDELINE FOR COMPUTATIONAL DRUG DESIGN (REVISED EDITION) (Work) |1 https://id.oclc.org/worldcat/entity/E39PCXQqxQCjkXqPHxWKj7fkTb |4 https://id.oclc.org/worldcat/ontology/hasWork | ||
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| _version_ | 1816882550374662144 |
| adam_text | |
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| author | Sehgal, Sheikh Arslan |
| author2 | Tahir, Rana Adnan Waqas, Muhammad |
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| author_facet | Sehgal, Sheikh Arslan Tahir, Rana Adnan Waqas, Muhammad |
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| contents | Cover -- Title -- Copyright -- End User License Agreement -- Contents -- Foreword -- Preface -- CONSENT FOR PUBLICATION -- CONFLICT OF INTEREST -- ACKNOWLEDGEMENTS -- Dedication -- Introduction to Structural Bioinformatics -- MOTIVATION -- BIOINFORMATICS -- Bioinformatics Approaches -- Static -- Dynamic -- Structural Bioinformatics -- Software and Tools -- Open-source Bioinformatics Software -- Web Services in Bioinformatics -- Virtual Screening -- Homology Modeling -- Steps of Homology Modeling -- Accuracy -- Importance of Homology modeling -- Homology Modeling Tools -- UniProt KB -- Structure Prediction Tools -- Model Validation Tools -- Sequence Analysis Tools -- Model Visualization Tools -- Virtual Screening and Docking -- Recent Advancements in Computational Drug Design -- REFERENCES -- Protein Primary Sequence Analysis -- MOTIVATION -- PROTPARAM EXPASY -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- LIMITATIONS OF PRIMARY SEQUENCE ANALYSES -- ProtParam Expassy -- REFERENCE -- Secondary Structure Analyses -- MOTIVATION -- SECONDARY STRUCTURE OF PROTEINS -- PROFUNC -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing of Data -- LIMITATIONS OF SECONDARY STRUCTURE ANALYSES TOOLS -- ProFunc -- REFERENCES -- 3D Structure Prediction -- MOTIVATION -- STRUCTURE PREDICTION TOOLS -- PHYRE2 -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (RESULTS SCREEN) -- Secondary Structure and Disorder Prediction -- Domain Analysis -- Detailed Template Information -- Alignment View -- CONCLUSION -- I-TASSER -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- Structure Prediction. Top 10 Threading Templates Used by I-TASSER -- Top 5 Final Model Predicted by I-TASSER -- Structurally Closely Related Protein -- Ligand Binding Site -- CONCLUSION -- RaptorX -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- Input Sequence and Domain Partition -- Prediction Results -- Detailed Prediction Results -- SWISS-MODEL -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (RESULTS SCREEN) -- Summary -- Templates -- Models -- CONCLUSION -- 3D-JIGSAW -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION -- CONCLUSION -- INTFOLD2 -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- HHPRED -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- M4T -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- MODELLER -- Introduction -- Downloading and Installation -- Modeling Steps -- Searching for Structures Related to PSEN2 -- BLAST (BASIC LOCAL ALIGNMENT SEARCHING TOOL) -- Template PDB File -- Aligning PSEN2 with the Template -- Model Building -- LIMITATIONS OF STRUCTURE PREDICTION TOOLS -- Phyre2 -- I-Tasser -- RaptorX -- Swiss-model -- 3D-Jigsaw -- Intfold2 -- M4T -- Modeller -- REFERENCES -- Protein 3D Structure Assessment, Evaluation, and Validation -- MOTIVATION -- MODEL EVALUATION TOOLS -- ERRAT -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (OUTPUT). CONCLUSION -- RAMPAGE -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- ANOLEA -- Introduction -- Brief Instructions -- Requirements -- Input -- RESULTS INTERPRETATION -- CONCLUSION -- MOL PROBITY -- Introduction -- Brief Instructions -- Requirements -- Input -- RESULTS INTERPRETATION -- CONCLUSION -- VERIFY 3D -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- PDBSUM GENERATE -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION -- Output -- Customization of Plots -- LIMITATIONS OF STRUCTURE EVALUATION TOOLS ERRAT -- Rampage -- Verify3D -- Pdbsum -- REFERENCES -- Ligand-Based Computational Molecular Docking Analysis -- INTRODUCTION -- Brief Instruction: MOE (Molecular Operating Environment) -- REFERENCES -- Protein-Ligand Interactions -- MOTIVATION -- Molecular Operating Environment (MOE) -- Protein-Ligand Complex -- 3D Structure Visualization through MOE -- Load and Visualize the Complex -- Selection Panel -- Protein Active Site and Rendering -- Active Site -- Rendering -- Ribbon Panel -- Atoms Panel -- Contacts Panel -- Fog and ZClip -- Molecular Surfaces and Maps -- 2D Ligand Interaction Diagram -- Rendering and Export Image -- REFERENCE -- Subject Index -- Back Cover. |
| ctrlnum | (OCoLC)1268682768 |
| dewey-full | 615.19 |
| dewey-hundreds | 600 - Technology (Applied sciences) |
| dewey-ones | 615 - Pharmacology and therapeutics |
| dewey-raw | 615.19 |
| dewey-search | 615.19 |
| dewey-sort | 3615.19 |
| dewey-tens | 610 - Medicine and health |
| discipline | Medizin |
| edition | Revised edition. |
| format | Electronic eBook |
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| id | ZDB-4-EBA-on1268682768 |
| illustrated | Illustrated |
| indexdate | 2024-11-27T13:30:24Z |
| institution | BVB |
| isbn | 9814998699 9789814998697 |
| language | English |
| oclc_num | 1268682768 |
| open_access_boolean | |
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| owner_facet | MAIN DE-863 DE-BY-FWS |
| physical | 1 online resource (126 pages) : illustrations |
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| record_format | marc |
| spelling | Sehgal, Sheikh Arslan. Quick guideline for computational drug design (Revised Edition) / authored by Sheikh Arslan Sehgal, Rana Adnan Tahir, and Muhammad Waqas. Revised edition. Singapore : Bentham Science Publishers, 2021. 1 online resource (126 pages) : illustrations text txt rdacontent computer c rdamedia online resource cr rdacarrier Includes bibliographical references and index. Cover -- Title -- Copyright -- End User License Agreement -- Contents -- Foreword -- Preface -- CONSENT FOR PUBLICATION -- CONFLICT OF INTEREST -- ACKNOWLEDGEMENTS -- Dedication -- Introduction to Structural Bioinformatics -- MOTIVATION -- BIOINFORMATICS -- Bioinformatics Approaches -- Static -- Dynamic -- Structural Bioinformatics -- Software and Tools -- Open-source Bioinformatics Software -- Web Services in Bioinformatics -- Virtual Screening -- Homology Modeling -- Steps of Homology Modeling -- Accuracy -- Importance of Homology modeling -- Homology Modeling Tools -- UniProt KB -- Structure Prediction Tools -- Model Validation Tools -- Sequence Analysis Tools -- Model Visualization Tools -- Virtual Screening and Docking -- Recent Advancements in Computational Drug Design -- REFERENCES -- Protein Primary Sequence Analysis -- MOTIVATION -- PROTPARAM EXPASY -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- LIMITATIONS OF PRIMARY SEQUENCE ANALYSES -- ProtParam Expassy -- REFERENCE -- Secondary Structure Analyses -- MOTIVATION -- SECONDARY STRUCTURE OF PROTEINS -- PROFUNC -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing of Data -- LIMITATIONS OF SECONDARY STRUCTURE ANALYSES TOOLS -- ProFunc -- REFERENCES -- 3D Structure Prediction -- MOTIVATION -- STRUCTURE PREDICTION TOOLS -- PHYRE2 -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (RESULTS SCREEN) -- Secondary Structure and Disorder Prediction -- Domain Analysis -- Detailed Template Information -- Alignment View -- CONCLUSION -- I-TASSER -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- Structure Prediction. Top 10 Threading Templates Used by I-TASSER -- Top 5 Final Model Predicted by I-TASSER -- Structurally Closely Related Protein -- Ligand Binding Site -- CONCLUSION -- RaptorX -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- Input Sequence and Domain Partition -- Prediction Results -- Detailed Prediction Results -- SWISS-MODEL -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (RESULTS SCREEN) -- Summary -- Templates -- Models -- CONCLUSION -- 3D-JIGSAW -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION -- CONCLUSION -- INTFOLD2 -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- HHPRED -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- M4T -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- MODELLER -- Introduction -- Downloading and Installation -- Modeling Steps -- Searching for Structures Related to PSEN2 -- BLAST (BASIC LOCAL ALIGNMENT SEARCHING TOOL) -- Template PDB File -- Aligning PSEN2 with the Template -- Model Building -- LIMITATIONS OF STRUCTURE PREDICTION TOOLS -- Phyre2 -- I-Tasser -- RaptorX -- Swiss-model -- 3D-Jigsaw -- Intfold2 -- M4T -- Modeller -- REFERENCES -- Protein 3D Structure Assessment, Evaluation, and Validation -- MOTIVATION -- MODEL EVALUATION TOOLS -- ERRAT -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (OUTPUT). CONCLUSION -- RAMPAGE -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- ANOLEA -- Introduction -- Brief Instructions -- Requirements -- Input -- RESULTS INTERPRETATION -- CONCLUSION -- MOL PROBITY -- Introduction -- Brief Instructions -- Requirements -- Input -- RESULTS INTERPRETATION -- CONCLUSION -- VERIFY 3D -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- PDBSUM GENERATE -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION -- Output -- Customization of Plots -- LIMITATIONS OF STRUCTURE EVALUATION TOOLS ERRAT -- Rampage -- Verify3D -- Pdbsum -- REFERENCES -- Ligand-Based Computational Molecular Docking Analysis -- INTRODUCTION -- Brief Instruction: MOE (Molecular Operating Environment) -- REFERENCES -- Protein-Ligand Interactions -- MOTIVATION -- Molecular Operating Environment (MOE) -- Protein-Ligand Complex -- 3D Structure Visualization through MOE -- Load and Visualize the Complex -- Selection Panel -- Protein Active Site and Rendering -- Active Site -- Rendering -- Ribbon Panel -- Atoms Panel -- Contacts Panel -- Fog and ZClip -- Molecular Surfaces and Maps -- 2D Ligand Interaction Diagram -- Rendering and Export Image -- REFERENCE -- Subject Index -- Back Cover. Drugs Design. http://id.loc.gov/authorities/subjects/sh88001157 Computer-aided design. http://id.loc.gov/authorities/subjects/sh85029476 Drug Design https://id.nlm.nih.gov/mesh/D015195 Computer-Aided Design https://id.nlm.nih.gov/mesh/D017076 Médicaments Conception. Conception assistée par ordinateur. computer-aided design (process) aat Drugs Design fast Tahir, Rana Adnan. Waqas, Muhammad. has work: QUICK GUIDELINE FOR COMPUTATIONAL DRUG DESIGN (REVISED EDITION) (Work) https://id.oclc.org/worldcat/entity/E39PCXQqxQCjkXqPHxWKj7fkTb https://id.oclc.org/worldcat/ontology/hasWork 981-4998-70-2 FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=3038287 Volltext |
| spellingShingle | Sehgal, Sheikh Arslan Quick guideline for computational drug design (Revised Edition) / Cover -- Title -- Copyright -- End User License Agreement -- Contents -- Foreword -- Preface -- CONSENT FOR PUBLICATION -- CONFLICT OF INTEREST -- ACKNOWLEDGEMENTS -- Dedication -- Introduction to Structural Bioinformatics -- MOTIVATION -- BIOINFORMATICS -- Bioinformatics Approaches -- Static -- Dynamic -- Structural Bioinformatics -- Software and Tools -- Open-source Bioinformatics Software -- Web Services in Bioinformatics -- Virtual Screening -- Homology Modeling -- Steps of Homology Modeling -- Accuracy -- Importance of Homology modeling -- Homology Modeling Tools -- UniProt KB -- Structure Prediction Tools -- Model Validation Tools -- Sequence Analysis Tools -- Model Visualization Tools -- Virtual Screening and Docking -- Recent Advancements in Computational Drug Design -- REFERENCES -- Protein Primary Sequence Analysis -- MOTIVATION -- PROTPARAM EXPASY -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- LIMITATIONS OF PRIMARY SEQUENCE ANALYSES -- ProtParam Expassy -- REFERENCE -- Secondary Structure Analyses -- MOTIVATION -- SECONDARY STRUCTURE OF PROTEINS -- PROFUNC -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing of Data -- LIMITATIONS OF SECONDARY STRUCTURE ANALYSES TOOLS -- ProFunc -- REFERENCES -- 3D Structure Prediction -- MOTIVATION -- STRUCTURE PREDICTION TOOLS -- PHYRE2 -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (RESULTS SCREEN) -- Secondary Structure and Disorder Prediction -- Domain Analysis -- Detailed Template Information -- Alignment View -- CONCLUSION -- I-TASSER -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- Structure Prediction. Top 10 Threading Templates Used by I-TASSER -- Top 5 Final Model Predicted by I-TASSER -- Structurally Closely Related Protein -- Ligand Binding Site -- CONCLUSION -- RaptorX -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- Input Sequence and Domain Partition -- Prediction Results -- Detailed Prediction Results -- SWISS-MODEL -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (RESULTS SCREEN) -- Summary -- Templates -- Models -- CONCLUSION -- 3D-JIGSAW -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION -- CONCLUSION -- INTFOLD2 -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- HHPRED -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- M4T -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION (OUTPUT) -- CONCLUSION -- MODELLER -- Introduction -- Downloading and Installation -- Modeling Steps -- Searching for Structures Related to PSEN2 -- BLAST (BASIC LOCAL ALIGNMENT SEARCHING TOOL) -- Template PDB File -- Aligning PSEN2 with the Template -- Model Building -- LIMITATIONS OF STRUCTURE PREDICTION TOOLS -- Phyre2 -- I-Tasser -- RaptorX -- Swiss-model -- 3D-Jigsaw -- Intfold2 -- M4T -- Modeller -- REFERENCES -- Protein 3D Structure Assessment, Evaluation, and Validation -- MOTIVATION -- MODEL EVALUATION TOOLS -- ERRAT -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION (OUTPUT). CONCLUSION -- RAMPAGE -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- ANOLEA -- Introduction -- Brief Instructions -- Requirements -- Input -- RESULTS INTERPRETATION -- CONCLUSION -- MOL PROBITY -- Introduction -- Brief Instructions -- Requirements -- Input -- RESULTS INTERPRETATION -- CONCLUSION -- VERIFY 3D -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- RESULTS INTERPRETATION -- CONCLUSION -- PDBSUM GENERATE -- Introduction -- Brief Instructions -- Requirements -- Input -- Sequence Submission -- Accessing Data -- RESULTS INTERPRETATION -- Output -- Customization of Plots -- LIMITATIONS OF STRUCTURE EVALUATION TOOLS ERRAT -- Rampage -- Verify3D -- Pdbsum -- REFERENCES -- Ligand-Based Computational Molecular Docking Analysis -- INTRODUCTION -- Brief Instruction: MOE (Molecular Operating Environment) -- REFERENCES -- Protein-Ligand Interactions -- MOTIVATION -- Molecular Operating Environment (MOE) -- Protein-Ligand Complex -- 3D Structure Visualization through MOE -- Load and Visualize the Complex -- Selection Panel -- Protein Active Site and Rendering -- Active Site -- Rendering -- Ribbon Panel -- Atoms Panel -- Contacts Panel -- Fog and ZClip -- Molecular Surfaces and Maps -- 2D Ligand Interaction Diagram -- Rendering and Export Image -- REFERENCE -- Subject Index -- Back Cover. Drugs Design. http://id.loc.gov/authorities/subjects/sh88001157 Computer-aided design. http://id.loc.gov/authorities/subjects/sh85029476 Drug Design https://id.nlm.nih.gov/mesh/D015195 Computer-Aided Design https://id.nlm.nih.gov/mesh/D017076 Médicaments Conception. Conception assistée par ordinateur. computer-aided design (process) aat Drugs Design fast |
| subject_GND | http://id.loc.gov/authorities/subjects/sh88001157 http://id.loc.gov/authorities/subjects/sh85029476 https://id.nlm.nih.gov/mesh/D015195 https://id.nlm.nih.gov/mesh/D017076 |
| title | Quick guideline for computational drug design (Revised Edition) / |
| title_auth | Quick guideline for computational drug design (Revised Edition) / |
| title_exact_search | Quick guideline for computational drug design (Revised Edition) / |
| title_full | Quick guideline for computational drug design (Revised Edition) / authored by Sheikh Arslan Sehgal, Rana Adnan Tahir, and Muhammad Waqas. |
| title_fullStr | Quick guideline for computational drug design (Revised Edition) / authored by Sheikh Arslan Sehgal, Rana Adnan Tahir, and Muhammad Waqas. |
| title_full_unstemmed | Quick guideline for computational drug design (Revised Edition) / authored by Sheikh Arslan Sehgal, Rana Adnan Tahir, and Muhammad Waqas. |
| title_short | Quick guideline for computational drug design (Revised Edition) / |
| title_sort | quick guideline for computational drug design revised edition |
| topic | Drugs Design. http://id.loc.gov/authorities/subjects/sh88001157 Computer-aided design. http://id.loc.gov/authorities/subjects/sh85029476 Drug Design https://id.nlm.nih.gov/mesh/D015195 Computer-Aided Design https://id.nlm.nih.gov/mesh/D017076 Médicaments Conception. Conception assistée par ordinateur. computer-aided design (process) aat Drugs Design fast |
| topic_facet | Drugs Design. Computer-aided design. Drug Design Computer-Aided Design Médicaments Conception. Conception assistée par ordinateur. computer-aided design (process) Drugs Design |
| url | https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=3038287 |
| work_keys_str_mv | AT sehgalsheikharslan quickguidelineforcomputationaldrugdesignrevisededition AT tahirranaadnan quickguidelineforcomputationaldrugdesignrevisededition AT waqasmuhammad quickguidelineforcomputationaldrugdesignrevisededition |