Andrei V. Kazantsev

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

David A. Bardwell, Claire S. Adjiman, Yelena A. Arnautova et al. · Acta Crystallographica Section B Structural Science · 2011 · 426 citations · Full text

Materials Science, Crystal Structure, Engineering +14

Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction

P.G. Karamertzanis, Andrei V. Kazantsev, Nizar Issa et al. · Journal of Chemical Theory and Computation · 2009 · 141 citations

Crystal Structure, Engineering, Computational Chemistry +18

Efficient Handling of Molecular Flexibility in Lattice Energy Minimization of Organic Crystals

Andrei V. Kazantsev, P.G. Karamertzanis, Claire S. Adjiman et al. · Journal of Chemical Theory and Computation · 2011 · 127 citations

Engineering, Computational Chemistry, Crystal Structure Prediction +17

Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure prediction

Andrei V. Kazantsev, P.G. Karamertzanis, Claire S. Adjiman et al. · International Journal of Pharmaceutics · 2011 · 118 citations

Medicinal Chemistry, Biophysics, Medicine +12

Efficient Handling of Molecular Flexibility in Ab Initio Generation of Crystal Structures

Matthew Habgood, Isaac J. Sugden, Andrei V. Kazantsev et al. · Journal of Chemical Theory and Computation · 2015 · 77 citations · Full text

Crystal Structure, Engineering, Computational Chemistry +22