Molecular Modeling Basic Principles And Applications Pdf

molecular modeling basic principles and applications pdf

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It seems that you're in Germany. We have a dedicated site for Germany. Authors: Ramachandran , K. The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook.

Molecular Modeling, Basic Principles and Applications

Skip to search form Skip to main content You are currently offline. Some features of the site may not work correctly. DOI: From the Publisher: With the growing speed of today's computers, molecular modeling is becoming an increasingly popular method for conducting experiments on the computer before applying the results in the laboratory. These techniques allow the computer-aided generation of molecular structures as well as the computation of molecular properties.

View via Publisher. Save to Library. Create Alert. Launch Research Feed. Share This Paper. Background Citations. Methods Citations. Figures from this paper. Citation Type. Has PDF. Publication Type. More Filters. Molecular modeling as a tool for drug discovery. Research Feed.

Homology modeling: an important tool for the drug discovery. Structure-based design of enzyme inhibitors and receptor ligands. Computer applications in the biomolecular sciences. Part 1: Molecular modelling. An electron-conformational method of identification of pharmacophore and anti-pharmacophore shielding: Application to rice blast activity. Current approaches and tools for binding energy prediction in computer- aided drug design.

Reprint of: Molecular modeling of soil organic matter: Squaring the circle? Pseudoreceptor modelling in drug design : Applications of Yak and PrGen.

CycloMolder software: building theoretical cyclodextrin derivatives models and evaluating their host:guest interactions. Combinatorial and computational approaches in structure-based drug design. Related Papers. Abstract Figures Citations Related Papers. By clicking accept or continuing to use the site, you agree to the terms outlined in our Privacy Policy , Terms of Service , and Dataset License.

Molecular modelling

E-mail: leif. Computational modelling has gained an increasingly important role in biochemical and biomolecular sciences over the past decades. This is related to significant developments in terms of methodology and software, as well as the amazing technological advances in computational hardware, and fruitful connections across different disciplines. Today, we readily screen virtual libraries of several million compounds searching for potential new inhibitors, run simulations of large biomolecular complexes in micro or even millisecond timescales, or predict protein structures with similar accuracy to high-resolution X-ray crystallography. In this introductory chapter, the basics of biomolecular modelling are outlined, to help set the foundation for the subsequent, more specialised chapters. The use of computers for predicting the structures and properties of biomolecules has closely paralleled computer development since the s, and has been one of the core areas of theoretical or computational chemistry for the past 30 years.

Par rogers june le mardi, juillet 7 , - Lien permanent. Molecular Modeling of Inorganic Compounds. Molecular Modeling: Basic Principles and Applications. Molecular Modeling in Heavy Hydrocarbon Conversions. Modelling molecular structures 2d ed - Alan Hinchliffe.

It seems that you're in Germany. We have a dedicated site for Germany. Authors: Ramachandran , K. The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included.


Third Edition Molecular Modeling: Basic Principles and Applications. Third Edition. By Hans-Dieter Höltje, Wolfgang Sippl, Didier Rognan, and.


Molecular modelling

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Molecular Modelling: Principles and Applications, 2nd Edition

This course is designed to provide a basic introduction to computational methods used in protein structure determination and molecular modeling.

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Baruc G.

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DorothГ©e M.

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Such is the case with this revised second edition of Höltje, Sippl, Rognan, and Folker's. Molecular Modeling: Basic Principles and Applications. It quite nicely.

Waldo M.

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Madeleine H.

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Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules.

Freddie S.

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