Accelerating molecular discovery through data and physical sciences: Applications to peptide-membrane interactions

Author:

Cipcigan Flaviu1ORCID,Carrieri Anna Paola1,Pyzer-Knapp Edward O.1,Krishna Ritesh1,Hsiao Ya-Wen2,Winn Martyn2,Ryadnov Maxim G.3,Edge Colin4ORCID,Martyna Glenn5,Crain Jason16

Affiliation:

1. IBM Research UK, Hartree Centre, Daresbury WA4 4AD, United Kingdom

2. STFC Daresbury Laboratories, Daresbury WA4 4AD, United Kingdom

3. National Physical Laboratory, Hampton Road, Teddington, United Kingdom

4. GSK Medicines Research Centre, Stevenage SG1 2NY, United Kingdom

5. IBM T. J. Watson Research Center, Yorktown Heights, New York 10598, USA

6. Maxwell Centre, University of Cambridge, Cambridge CB3 0HE, United Kingdom

Funder

Department for Business, Energy and Industrial Strategy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference62 articles.

1. D. A. Reed, R. Bajcsy, M. A. Fernandez, J.M. Griffiths, R. D. Mott, J. Dongarra, C. R. Johnson, A. S. Inouye, W. Miner, M. K. Matzkeet al., “Computational science: Ensuring America’s competitiveness,” Technical Report No. ADA462840, Defense Technical Information Center, 2005.

2. Science and data science

3. What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery

4. Clinical development success rates for investigational drugs

5. Designing Cell-Targeted Therapeutic Proteins Reveals the Interplay between Domain Connectivity and Cell Binding

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