Paul C. D. Hawkins
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, Enzyme Structure and Function, Machine Learning in Materials Science, HIV/AIDS drug development and treatment
Most-Cited Works
- → Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database(2010)1,640 cited
- → Comparison of Shape-Matching and Docking as Virtual Screening Tools(2006)1,004 cited
- → Conformer Generation with OMEGA: Learning from the Data Set and the Analysis of Failures(2012)411 cited
- → Conformation Generation: The State of the Art(2017)254 cited
- → How to do an evaluation: pitfalls and traps(2008)159 cited
- → Conformational Sampling of Macrocyclic Drugs in Different Environments: Can We Find the Relevant Conformations?(2018)89 cited
- → Synthesis of stereochemically defined phosphonamidate-containing peptides: Inhibitors for the HIV-1 proteinase(1992)41 cited
- → Mechanism of metal-independent hydroxylation by Chromobacterium violaceum phenylalanine hydroxylase(1995)35 cited
- → SiteHopper - a unique tool for binding site comparison(2014)30 cited
- → Alkylidenecarbene Insertion into a Nitrogen Lone Pair: An Unexpected Synthesis of Dihydropyrroles from Alkynyliodonium Salts(1999)20 cited