Computational biomedicine. Part 1: molecular medicine

Large-scale binding affinity calculations on commodity compute clouds

(2020) S. J. Zasada et al.   Interface Focus

How quickly can we predict trimethoprim resistance using alchemical free energy methods?

(2020) Philip W. Fowler   Interface Focus

Hit-to-lead and lead optimization binding free energy calculations for G protein-coupled receptors

(2020) Shunzhou Wan et al.   Interface Focus

Rapid, accurate, precise and reproducible ligand–protein binding free energy prediction

(2020) Shunzhou Wan et al.   Interface Focus

Quantum computing using continuous-time evolution

(2020) Viv Kendon   Interface Focus

On the faithfulness of molecular mechanics representations of proteins towards quantum-mechanical energy surfaces

(2020) Gerhard König et al.   Interface Focus

Educating and engaging new communities of practice with high performance computing through the integration of teaching and research

(2020) Andrea Townsend-Nicholson   Interface Focus

The influence of base pair tautomerism on single point mutations in aqueous DNA

(2020) A. Gheorghiu et al.   Interface Focus

Big data: the end of the scientific method?

(2019) Sauro Succi et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Innovation in the pharmaceutical industry: New estimates of R&D costs

(2016) Joseph A. DiMasi et al.   JOURNAL OF HEALTH ECONOMICS

Big data need big theory too

(2016) Peter V. Coveney et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Selective Publication of Antidepressant Trials and Its Influence on Apparent Efficacy

(2008) Erick H. Turner et al.   NEW ENGLAND JOURNAL OF MEDICINE