The effective fragment molecular orbital method for fragments connected by covalent bonds.

by Casper Steinmann, Dmitri G Fedorov, Jan H Jensen
Published 2012-01-01

Mapping enzymatic catalysis using the effective fragment molecular orbital method: towards all ab initio biochemistry.

by Casper Steinmann, Dmitri G Fedorov, Jan H Jensen
Published 2013-01-01

Hybrid RHF/MP2 geometry optimizations with the effective fragment molecular orbital method.

by Anders S Christensen, Casper Steinmann, Dmitri G Fedorov, Jan H Jensen
Published 2014-01-01

The role of SAXS and molecular simulations in 3D structure elucidation of a DNA aptamer against lung cancer

by Dmitry Morozov, Vladimir Mironov, Roman V. Moryachkov, Irina A. Shchugoreva, Polina V. Artyushenko, Galina S. Zamay, Olga S. Kolovskaya, Tatiana N. Zamay, Alexey V. Krat, Dmitry S. Molodenskiy, Vladimir N. Zabluda, Dmitry V. Veprintsev, Alexey E. Sokolov, Ruslan A. Zukov, Maxim V. Berezovski, Felix N. Tomilin, Dmitri G. Fedorov, Yuri Alexeev, Anna S. Kichkailo
Published 2021-09-01

Aptamer-Conjugated Superparamagnetic Ferroarabinogalactan Nanoparticles for Targeted Magnetodynamic Therapy of Cancer

by Olga S. Kolovskaya, Tatiana N. Zamay, Galina S. Zamay, Vasily A. Babkin, Elena N. Medvedeva, Nadezhda A. Neverova, Andrey K. Kirichenko, Sergey S. Zamay, Ivan N. Lapin, Evgeny V. Morozov, Alexey E. Sokolov, Andrey A. Narodov, Dmitri G. Fedorov, Felix N. Tomilin, Vladimir N. Zabluda, Yulia Alekhina, Kirill A. Lukyanenko, Yury E. Glazyrin, Valery A. Svetlichnyi, Maxim V. Berezovski, Anna S. Kichkailo
Published 2020-01-01