Download e-book for kindle: 3D QSAR in Drug Design: Volume 3: Recent Advances by Hugo Kubinyi, Gerd Folkers, Yvonne C. Martin

By Hugo Kubinyi, Gerd Folkers, Yvonne C. Martin

ISBN-10: 0306468581

ISBN-13: 9780306468582

ISBN-10: 0792347919

ISBN-13: 9780792347910

Volumes 2 and three of the 3D QSAR in Drug layout sequence target to study the development being made in CoMFA and different 3D QSAR methods because the booklet of the hugely winning first quantity approximately 4 years in the past. quantity 2 (Ligand-Protein Interactions and Molecular Similarity) divides into 3 sections facing Ligand-Protein Interactions, Quantum Chemical types and Molecular Dynamics Simulations, and Pharmacophore Modelling and Molecular Similarity, respectively. quantity three (Recent Advances) is additionally divided into 3 sections, particularly 3D QSAR technique: CoMFA and comparable techniques, Receptor versions and different 3D QSAR techniques, and 3D QSAR purposes. greater than seventy unique scientists have contributed approximately 40 studies in their paintings and comparable study to those volumes that are of remarkable caliber and timeliness. those works current an updated assurance of the newest advancements in all fields of 3D QSAR.

Show description

Read or Download 3D QSAR in Drug Design: Volume 3: Recent Advances (Three-Dimensional Quantitative Structure Activity Relationships, Volume 3) PDF

Best pharmacology books

Concise Dictionary of Pharmacological Agents - Properties - download pdf or read online

This dictionary offers a handy own reference resource, meant to enrich extra encyclopaedic works. First, there's an alphabetic, absolutely cross-indexed directory of pharmacologically lively brokers and their houses, containing info of a few 4000 person chemical brokers together with scientific medicinal drugs in present use, experimental brokers and pollutants used as research instruments.

New PDF release: Litt's Drug Eruption Reference Manual Including Drug

Verify antagonistic results with the one resource for training dermatologists, pharmacists and clinicians dedicated to newly licensed, more often than not prescribed, and over the counter medicines together with herbals and supplementations. With an alphabetic directory of greater than 7,000 medicines, herbals and supplementations mixed, Litt's is the dermatologist's no 1 selection for drug eruption information.

Icon Health Publications's Pain Medications - A Medical Dictionary, Bibliography, and PDF

It is a 3-in-1 reference ebook. It offers an entire clinical dictionary protecting countless numbers of phrases and expressions with regards to soreness medicinal drugs. It additionally offers vast lists of bibliographic citations. ultimately, it presents info to clients on the right way to replace their wisdom utilizing quite a few web assets.

Download e-book for kindle: Contraceptive Steroids: Pharmacology and Safety by Solomon Sobel, William Andrews (auth.), A. T. Gregoire,

One of many usa nutrition and Drug Administration's such a lot tricky initiatives is the evaluate of risk-benefit ratios for a huge spectrum of healing and prophylactic medicines. additionally, it truly is now extensively recog­ nized that no drug, chemical or perhaps common substance is totally with out possibility. Nowhere has this factor been the topic of extra controversy than with steroidal contraceptive medicines.

Additional info for 3D QSAR in Drug Design: Volume 3: Recent Advances (Three-Dimensional Quantitative Structure Activity Relationships, Volume 3)

Sample text

Unfortunately, the study was only conducted and evaluated using the training set of 21 steroids. g. the 10 steroids included in the original paper by Cramer et al. [3] — cannot be assessed at this point in time. Desolvation energy fields computed by the Delphi technique [60,61] have been used in a CoMFA study by Waller and Marshall [18] on some ACE and thermolysin inhibitors. The inclusion of a desolvation energy field did not improve the statistical quality of models and the desolvation energy field was found to be rather colinear with the electrostatic field [62].

3, Kluwer Academic Publishers, Dordrecht, The Netherlands, 1998, pp. 57–69. 125. , Clementi, S. and Pastor. , Folkers, G. and Martin, Y. ) 3D QSAR in drug design: Vol. 3, Kluwer Academic Publishers, Dordrecht, The Netherlands, 1998, pp. 71–86. 126. J. , Genetic partial least-squares in QSAR, In J. ) Genetic algorithms in molecular modeling, Academic Press, London, 1996, p. 109–30. 127. H. J. , The use of neural networks for variable selection in QSAR, Bioorg. Medic. Chem. , 3 (1993) 645–651. 128.

Sec. D, 51 (1995) 458–472. 81. L. , Free-energies of hydration for organic-molecules from Monte Carlo Simulations, Persp. Drug Discov. Design, 3 (1995) 123–138. 82. K. , Comparison of continuum and explicit models of salvation — potentials of mean force for allanine dipeptide, J. Phys. , 100 (1996) 1439–1441. 83. , Wierzbicki, A. , Calculations of the electrostatic free-energy contributions to the binding free-energy of sulfonamides to carbonic-anhydrase. Struct. Chem. 7(1996) 131–138. 84. Aqvist, J.

Download PDF sample

3D QSAR in Drug Design: Volume 3: Recent Advances (Three-Dimensional Quantitative Structure Activity Relationships, Volume 3) by Hugo Kubinyi, Gerd Folkers, Yvonne C. Martin

by Brian

Rated 4.92 of 5 – based on 19 votes