In-Silico Lead Discovery

Editor(s): Maria A. Miteva

Indexed in: Book Citation Index, Scopus, Chemical Abstracts.

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Computer-aided drug design and in silico screening have contributed to the discovery of several compounds that have either reached the market or entered clinical trials. In silico Lead Discovery is a ...
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Foreword  promotion: free to download

Pp. i

Martin G. Grigorov



Preface  promotion: free to download

Pp. ii

Maria A. Miteva



Contributors  promotion: free to download

Pp. iii-iv (2)

Maria A. Miteva



Chemical Libraries for Virtual Screening  Open Access Plus

Pp. 1-19 (19)

David Lagorce, Olivier Sperandio, Maria A. Miteva and Bruno O. Villoutreix



Structure-Based Virtual Screening  Open Access Plus

Pp. 20-46 (27)

Olivier Sperandio, Bruno O. Villoutreix and Maria A. Miteva



3D Similarity Search for Lead Compound Identification

Pp. 47-59 (13)

Frederic Guyon and Pierre Tuffery


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Fragment-Based Methods for Lead Discovery

Pp. 60-83 (24)

Will R. Pitt, Alicia P. Higueruelo and Nikolay P. Todorov


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Analyzing and Predicting Protein Binding Pockets

Pp. 84-98 (15)

Rooplekha C. Mitra and Emil Alexov


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Receptor Flexibility in Ligand Docking and Virtual Screening  Open Access Plus

Pp. 99-117 (19)

Maria A. Miteva, Charles H. Robert, Jean Didier Marechal and David Perahia



Successful Applications of In Silico Approaches for Lead/Drug Discovery

Pp. 163-175 (13)

Andrea Bortolato, Francesca Perruccio and Stefano Moro


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Visualisation and Efficient Communication in Structure-Based Lead Discovery  Open Access Plus

Pp. 176-189 (14)

Andrea Bortolato, Francesca Perruccio and Stefano Moro



Index  promotion: free to download

Pp. 190-193 (4)

Maria A. Miteva