Electrostatics-based Computational Methods for Understanding Polymerase Mechanism and for Protein Function Annotation

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Publisher :
ISBN 13 :
Total Pages : 130 pages
Book Rating : 4.:/5 (9 download)

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Book Synopsis Electrostatics-based Computational Methods for Understanding Polymerase Mechanism and for Protein Function Annotation by : Ramya Parasuram

Download or read book Electrostatics-based Computational Methods for Understanding Polymerase Mechanism and for Protein Function Annotation written by Ramya Parasuram and published by . This book was released on 2014 with total page 130 pages. Available in PDF, EPUB and Kindle. Book excerpt: Knowledge of the active site is the first step to understanding the function of an enzyme. My research encompassed the use of electrostatics-based computational functional site prediction methods, Theoretical Microscopic Anomalous Titration Curve Shapes (THEMATICS) and Partial Order Optimum Likelihood (POOL) to understand the role of active site and distal residues in a polymerase and also to develop a methodology to classify the members of protein superfamilies according to biochemical function and thus to annotate proteins of unknown function. *Role of Active Site and Distal Residues in DNA Polymerase III Alpha* The process of DNA replication is carried out with high efficiency and accuracy by DNA polymerases. The replicative polymerase in E. coli is DNA pol III, which is a complex of 10 different subunits that coordinates simultaneous replication on the leading and lagging strands. The 1160-residue pol III alpha subunit copies DNA accurately, making one error per 105 nucleotide incorporations. The goal of this research is to determine the residues that contribute to this high fidelity and activity of the polymerase subunit. Homology modeling and the computational methods of THEMATICS and POOL are used to predict functionally important amino acid residues. Site-directed mutagenesis and primer extension assays are used to validate these predictions. This and previous work show that the top 15 residues predicted by POOL, which include the three catalytic aspartate residues and seven remote residues, are important for function. Primer extension and thermal denaturation assays were performed to understand better the contribution of these residues to the function of the polymerase. This work has identified ten previously unknown residues, Y340, D405, R390, Y686, R709, K553A, K758, R362, H760 and E688Q, as critical to pol III activity. *Functional Classification of Six-Hairpin Glycosidase Superfamily with Structurally Aligned Local Sites of Activity* There are over 12000 Structural Genomics (SG) protein structures reported in the Protein Data Bank to date. Misannotation rates for SG proteins are estimated to be high since they often are annotated simply by their closest sequence or structural match. We have developed a strategy to predict function reliably and to identify these misannotations. The method POOL is used to predict functionally important residues for members of the Six-hairpin glycosidase superfamily. Starting with the previously characterized members of the superfamily, each functional subclass is shown to exhibit a unique local spatial pattern based on the predictions. These patterns, the chemical signatures associated with each functional type, are used to sort the superfamily according to biochemical function and also to determine whether SG members of this superfamily are correctly or incorrectly annotated. Using this method, we have been able to successfully characterize the six-hairpin glycosidase superfamily and annotate the function of several SG proteins. This work establishes the utility of our electrostatics-based functional residue prediction method in applications to understand enzyme mechanisms and to predict function. The experimental methods can help provide insight to improve the computational methods. Efforts are in progress to automate and optimize the method to enable high-throughput searching for biochemical functional matches across the entire space of known protein 3D structures.

Protein-Nucleic Acid Interactions

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Publisher : Royal Society of Chemistry
ISBN 13 : 0854042725
Total Pages : 417 pages
Book Rating : 4.8/5 (54 download)

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Book Synopsis Protein-Nucleic Acid Interactions by : Phoebe A. Rice

Download or read book Protein-Nucleic Acid Interactions written by Phoebe A. Rice and published by Royal Society of Chemistry. This book was released on 2008-05-22 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides both in-depth background and up-to-date information in this area. The chapters are organized by general themes and principles, written by experts who illustrate topics with current findings. Topics covered include: - the role of ions and hydration in protein-nucleic acid interactions - transcription factors and combinatorial specificity - indirect readout of DNA sequence - single-stranded nucleic acid binding proteins - nucleic acid junctions and proteins, - RNA protein recognition - recognition of DNA damage. It will be a key reference for both advanced students and established scientists wishing to broaden their horizons.

Protein-Protein Interactions

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Publisher : BoD – Books on Demand
ISBN 13 : 9535103970
Total Pages : 488 pages
Book Rating : 4.5/5 (351 download)

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Book Synopsis Protein-Protein Interactions by : Weibo Cai

Download or read book Protein-Protein Interactions written by Weibo Cai and published by BoD – Books on Demand. This book was released on 2012-03-30 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proteins are indispensable players in virtually all biological events. The functions of proteins are coordinated through intricate regulatory networks of transient protein-protein interactions (PPIs). To predict and/or study PPIs, a wide variety of techniques have been developed over the last several decades. Many in vitro and in vivo assays have been implemented to explore the mechanism of these ubiquitous interactions. However, despite significant advances in these experimental approaches, many limitations exist such as false-positives/false-negatives, difficulty in obtaining crystal structures of proteins, challenges in the detection of transient PPI, among others. To overcome these limitations, many computational approaches have been developed which are becoming increasingly widely used to facilitate the investigation of PPIs. This book has gathered an ensemble of experts in the field, in 22 chapters, which have been broadly categorized into Computational Approaches, Experimental Approaches, and Others.

Bioinformatics Computing

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Publisher : Prentice Hall Professional
ISBN 13 : 9780131008250
Total Pages : 472 pages
Book Rating : 4.0/5 (82 download)

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Book Synopsis Bioinformatics Computing by : Bryan P. Bergeron

Download or read book Bioinformatics Computing written by Bryan P. Bergeron and published by Prentice Hall Professional. This book was released on 2003 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive and concise, this handbook has chapters on computing visualization, large database designs, advanced pattern matching and other key bioinformatics techniques. It is a practical guide to computing in the growing field of Bioinformatics--the study of how information is represented and transmitted in biological systems, starting at the molecular level.

Bioinformatics and Systems Biology

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Publisher : Springer Science & Business Media
ISBN 13 : 3540783539
Total Pages : 296 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis Bioinformatics and Systems Biology by : Frederick Marcus

Download or read book Bioinformatics and Systems Biology written by Frederick Marcus and published by Springer Science & Business Media. This book was released on 2008-07-22 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Collaborative research in bioinformatics and systems biology is a key element of modern biology and health research. This book highlights and provides access to many of the methods, environments, results and resources involved, including integral laboratory data generation and experimentation and clinical activities. Collaborative projects embody a research paradigm that connects many of the top scientists, institutions, their resources and research worldwide, resulting in first-class contributions to bioinformatics and systems biology. Central themes include describing processes and results in collaborative research projects using computational biology and providing a guide for researchers to access them. The book is also a practical guide on how science is managed. It shows how collaborative researchers are putting results together in a way accessible to the entire biomedical community.

Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design

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Publisher : Springer Nature
ISBN 13 : 9811589364
Total Pages : 334 pages
Book Rating : 4.8/5 (115 download)

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Book Synopsis Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design by : Sanjeev Kumar Singh

Download or read book Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design written by Sanjeev Kumar Singh and published by Springer Nature. This book was released on 2021-02-02 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows. In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.

Introduction to Bioinformatics

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Publisher :
ISBN 13 : 0198794142
Total Pages : 433 pages
Book Rating : 4.1/5 (987 download)

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Book Synopsis Introduction to Bioinformatics by : Arthur Lesk

Download or read book Introduction to Bioinformatics written by Arthur Lesk and published by . This book was released on 2019-05 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: The ideal text for biology students encountering bioinformatics for the first time, Introduction to Bioinformatics describes how recent technological advances in the field can be used as a powerful set of tools for receiving and analyzing biological data.

Fuzziness

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Publisher : Springer Science & Business Media
ISBN 13 : 1461406595
Total Pages : 210 pages
Book Rating : 4.4/5 (614 download)

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Book Synopsis Fuzziness by : Monika Fuxreiter

Download or read book Fuzziness written by Monika Fuxreiter and published by Springer Science & Business Media. This book was released on 2012-03-07 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: Detailed characterization of fuzzy interactions will be of central importance for understanding the diverse biological functions of intrinsically disordered proteins in complex eukaryotic signaling networks. In this volume, Peter Tompa and Monika Fuxreiter have assembled a series of papers that address the issue of fuzziness in molecular interactions. These papers provide a broad overview of the phenomenon of fuzziness and provide compelling examples of the central role played by fuzzy interactions in regulation of cellular signaling processes and in viral infectivity. These contributions summarize the current state of knowledge in this new field and will undoubtedly stimulate future research that will further advance our understanding of fuzziness and its role in biomolecular interactions.

Functional Metagenomics: Tools and Applications

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Publisher : Springer
ISBN 13 : 3319615106
Total Pages : 256 pages
Book Rating : 4.3/5 (196 download)

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Book Synopsis Functional Metagenomics: Tools and Applications by : Trevor C. Charles

Download or read book Functional Metagenomics: Tools and Applications written by Trevor C. Charles and published by Springer. This book was released on 2017-10-09 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this book, the latest tools available for functional metagenomics research are described.This research enables scientists to directly access the genomes from diverse microbial genomes at one time and study these “metagenomes”. Using the modern tools of genome sequencing and cloning, researchers have now been able to harness this astounding metagenomic diversity to understand and exploit the diverse functions of microorganisms. Leading scientists from around the world demonstrate how these approaches have been applied in many different settings, including aquatic and terrestrial habitats, microbiomes, and many more environments. This is a highly informative and carefully presented book, providing microbiologists with a summary of the latest functional metagenomics literature on all specific habitats.

Protein and Peptide Analysis by LC-MS

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Publisher : Royal Society of Chemistry
ISBN 13 : 1849733147
Total Pages : 195 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Protein and Peptide Analysis by LC-MS by : Thomas Letzel

Download or read book Protein and Peptide Analysis by LC-MS written by Thomas Letzel and published by Royal Society of Chemistry. This book was released on 2011-07-22 with total page 195 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the first example in presenting LC-MS strategies for the analysis of peptides and proteins with detailed information and hints about the needs and problems described from experts on-the-job. The best advantage is -for sure- the practical insight of experienced analysts into their novel protein analysis techniques. Readers starting in 'Proteomics' should be able to repeat each experiment with own equipment and own protein samples, like clean-up, direct protein analysis, after (online) digest, with modifications and others. Furthermore, the reader will learn more about strategies in protein analysis, like quantitative analysis, industrial standards, functional analysis and more.

Computational Protein Design

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Publisher : Humana
ISBN 13 : 9781493966356
Total Pages : 0 pages
Book Rating : 4.9/5 (663 download)

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Book Synopsis Computational Protein Design by : Ilan Samish

Download or read book Computational Protein Design written by Ilan Samish and published by Humana. This book was released on 2016-12-03 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim this volume is to present the methods, challenges, software, and applications of this widespread and yet still evolving and maturing field. Computational Protein Design, the first book with this title, guides readers through computational protein design approaches, software and tailored solutions to specific case-study targets. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Computational Protein Design aims to ensure successful results in the further study of this vital field.

Molecular Diagnostics: Promises and Possibilities

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Publisher : Springer Science & Business Media
ISBN 13 : 9048132614
Total Pages : 527 pages
Book Rating : 4.0/5 (481 download)

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Book Synopsis Molecular Diagnostics: Promises and Possibilities by : Mousumi Debnath

Download or read book Molecular Diagnostics: Promises and Possibilities written by Mousumi Debnath and published by Springer Science & Business Media. This book was released on 2010-01-29 with total page 527 pages. Available in PDF, EPUB and Kindle. Book excerpt: A rapid development in diverse areas of molecular biology and genetic engineering resulted in emergence of variety of tools. These tools are not only applicable to basic researches being carried out world over, but also exploited for precise detection of abnormal conditions in plants, animals and human body. Although a basic researcher is well versed with few techniques used by him/her in the laboratory, they may not be well acquainted with methodologies, which can be used to work out some of their own research problems. The picture is more blurred when the molecular diagnostic tools are to be used by physicians, scientists and technicians working in diagnostic laboratories in hospitals, industry and academic institutions. Since many of them are not trained in basics of these methods, they come across several gray areas in understanding of these tools. The accurate application of molecular diagnostic tools demands in depth understanding of the methodology for precise detection of the abnormal condition of living body. To meet the requirements of a good book on molecular diagnostics of students, physicians, scientists working in agricultural, veterinary, medical and pharmaceutical sciences, it needs to expose the reader lucidly to: Give basic science behind commonly used tools in diagnostics Expose the readers to detailed applications of these tools and Make them aware the availability of such diagnostic tools The book will attract additional audience of pathologists, medical microbiologists, pharmaceutical sciences, agricultural scientists and veterinary doctors if the following topics are incorporated at appropriate places in Unit II or separately as a part of Unit-III in the book. Molecular diagnosis of diseases in agricultural crops Molecular diagnosis of veterinary diseases. Molecular epidemiology, which helps to differentiate various epidemic strains and sources of disease outbreaks. Even in different units of the same hospital, the infections could be by different strains of the same species and the information becomes valuable for infection control strategies. Drug resistance is a growing problem for bacterial, fungal and parasitic microbes and the molecular biology tools can help to detect the drug resistance genes without the cultivation and in vitro sensitivity testing. Molecular diagnostics offers faster help in the selection of the proper antibiotic for the treatment of tuberculosis, which is a major problem of the in the developing world. The conventional culture and drug sensitivity testing of tuberculosis bacilli is laborious and time consuming, whereas molecular diagnosis offers rapid drug resistant gene detection even from direct clinical samples. The same approach for HIV, malaria and many more diseases needs to be considered. Molecular diagnostics in the detection of diseases during foetal life is an upcoming area in the foetal medicine in case of genetic abnormalities and infectious like TORCH complex etc. The book will be equally useful to students, scientists and professionals working in the field of molecular diagnostics.

Bioinformatics and Molecular Evolution

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Publisher : John Wiley & Sons
ISBN 13 : 1118697065
Total Pages : 532 pages
Book Rating : 4.1/5 (186 download)

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Book Synopsis Bioinformatics and Molecular Evolution by : Paul G. Higgs

Download or read book Bioinformatics and Molecular Evolution written by Paul G. Higgs and published by John Wiley & Sons. This book was released on 2013-04-30 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the current era of complete genome sequencing, Bioinformatics and Molecular Evolution provides an up-to-date and comprehensive introduction to bioinformatics in the context of evolutionary biology. This accessible text: provides a thorough examination of sequence analysis, biological databases, pattern recognition, and applications to genomics, microarrays, and proteomics emphasizes the theoretical and statistical methods used in bioinformatics programs in a way that is accessible to biological science students places bioinformatics in the context of evolutionary biology, including population genetics, molecular evolution, molecular phylogenetics, and their applications features end-of-chapter problems and self-tests to help students synthesize the materials and apply their understanding is accompanied by a dedicated website - www.blackwellpublishing.com/higgs - containing downloadable sequences, links to web resources, answers to self-test questions, and all artwork in downloadable format (artwork also available to instructors on CD-ROM). This important textbook will equip readers with a thorough understanding of the quantitative methods used in the analysis of molecular evolution, and will be essential reading for advanced undergraduates, graduates, and researchers in molecular biology, genetics, genomics, computational biology, and bioinformatics courses.

Bioinformatics for Beginners

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Publisher : Elsevier
ISBN 13 : 0124105106
Total Pages : 238 pages
Book Rating : 4.1/5 (241 download)

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Book Synopsis Bioinformatics for Beginners by : Supratim Choudhuri

Download or read book Bioinformatics for Beginners written by Supratim Choudhuri and published by Elsevier. This book was released on 2014-05-09 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bioinformatics for Beginners: Genes, Genomes, Molecular Evolution, Databases and Analytical Tools provides a coherent and friendly treatment of bioinformatics for any student or scientist within biology who has not routinely performed bioinformatic analysis. The book discusses the relevant principles needed to understand the theoretical underpinnings of bioinformatic analysis and demonstrates, with examples, targeted analysis using freely available web-based software and publicly available databases. Eschewing non-essential information, the work focuses on principles and hands-on analysis, also pointing to further study options. Avoids non-essential coverage, yet fully describes the field for beginners Explains the molecular basis of evolution to place bioinformatic analysis in biological context Provides useful links to the vast resource of publicly available bioinformatic databases and analysis tools Contains over 100 figures that aid in concept discovery and illustration

Biomacromolecules

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Publisher : John Wiley & Sons
ISBN 13 : 0470080116
Total Pages : 770 pages
Book Rating : 4.4/5 (7 download)

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Book Synopsis Biomacromolecules by : C. Stan Tsai

Download or read book Biomacromolecules written by C. Stan Tsai and published by John Wiley & Sons. This book was released on 2007-01-16 with total page 770 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an integrated treatment of the structure and function of nucleic acids, proteins, and glycans, including thorough coverage of relevant computational biochemistry. The text begins with an introduction to the biomacromolecules, followed by discussion of methods of isolation and purification, physiochemical and biochemical properties, and structural characteristics. The next section of the book deals with sequence analysis, analysis of conformation using spectroscopy, chemical synthesis, and computational approaches. The following chapters discuss biomolecular interactions, enzyme action, gene transmission, signal transduction, and biomacromolecular informatics. The author concludes with presenting the latest findings in genomics, proteomics, glycomics, and biomacromolecular evolution. This text is an invaluable resource for research professionals wishing to move into genomics, proteomics, and glycomics research. It is also useful for students in biochemistry, molecular biology, bioengineering, biotechnology, and bioinformatics.

Intrinsically Disordered Proteins

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Publisher : Springer
ISBN 13 : 3319089218
Total Pages : 73 pages
Book Rating : 4.3/5 (19 download)

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Book Synopsis Intrinsically Disordered Proteins by : Vladimir N. Uversky

Download or read book Intrinsically Disordered Proteins written by Vladimir N. Uversky and published by Springer. This book was released on 2014-08-05 with total page 73 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this brief, Vladimir Uversky discusses the paradigm-shifting phenomenon of intrinsically disordered proteins (IDPs) and hybrid proteins containing ordered domains and functional IDP regions (IDPRs). Beginning with an introduction to the concept of protein intrinsic disorder, Uversky then goes on to describe the peculiar amino acid sequences of IDPs, their structural heterogeneity, typical functions and disorder-based binding modes. In the final sections, Uversky discusses IDPs in human diseases and as potential drug targets. This volume provides a snapshot to researchers entering the field as well as providing a current overview for more experienced scientists in related areas.

The Fragment Molecular Orbital Method

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Publisher : CRC Press
ISBN 13 : 1420078496
Total Pages : 304 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis The Fragment Molecular Orbital Method by : Dmitri Fedorov

Download or read book The Fragment Molecular Orbital Method written by Dmitri Fedorov and published by CRC Press. This book was released on 2009-05-14 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecular Orbital (FMO) method in 1999. Today, the FMO method can be applied to the study of whole proteins and protein-ligand interactions, and is extremely effective in calculating the propertie