Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Filipp Gusev"'
Publikováno v:
Journal of Chemical Information and Modeling. 63:583-594
In silico identification of potent protein inhibitors commonly requires prediction of a ligand binding free energy (BFE). Thermodynamics integration (TI) based on molecular dynamics (MD) simulations is a BFE calculation method capable of predicting a
Autor:
Johannes Schimunek, Philipp Seidl, Katarina Elez, Tim Hempel, Tuan Le, Frank Noé, Simon Olsson, Lluís Raich, Robin Winter, Hatice Gokcan, Filipp Gusev, Evgeny M. Gutkin, Olexandr Isayev, Maria G. Kurnikova, Chamali H. Narangoda, Roman Zubatyuk, Ivan P. Bosko, Konstantin V. Furs, Anna D. Karpenko, Yury V. Kornoushenko, Mikita Shuldau, Artsemi Yushkevich, Mohammed B. Benabderrahmane, Patrick Bousquet-Melou, Ronan Bureau, Beatrice Charton, Bertrand C. Cirou, Gérard Gil, William J. Allen, Suman Sirimulla, Stanley Watowich, Nick A. Antonopoulos, Nikolaos E. Epitropakis, Agamemnon K. Krasoulis, Vassilis P. Pitsikalis, Stavros T. Theodorakis, Igor Kozlovskii, Anton Maliutin, Alexander Medvedev, Petr Popov, Mark Zaretckii, Hamid Eghbal-zadeh, Christina Halmich, Sepp Hochreiter, Andreas Mayr, Peter Ruch, Michael Widrich, Francois Berenger, Ashutosh Kumar, Yoshihiro Yamanishi, Kam Y.J. Zhang, Emmanuel Bengio, Yoshua Bengio, Moksh J. Jain, Maksym Korablyov, Cheng-Hao Liu, Gilles Marcou, Enrico Glaab, Kelly Barnsley, Suhasini M. Iyengar, Mary Jo Ondrechen, V. Joachim Haupt, Florian Kaiser, Michael Schroeder, Luisa Pugliese, Simone Albani, Christina Athanasiou, Andrea Beccari, Paolo Carloni, Giulia D'Arrigo, Eleonora Gianquinto, Jonas Goßen, Anton Hanke, Benjamin P. Joseph, Daria B. Kokh, Sandra Kovachka, Candida Manelfi, Goutam Mukherjee, Abraham Muñiz-Chicharro, Francesco Musiani, Ariane Nunes-Alves, Giulia Paiardi, Giulia Rossetti, S. Kashif Sadiq, Francesca Spyrakis, Carmine Talarico, Alexandros Tsengenes, Rebecca C. Wade, Conner Copeland, Jeremiah Gaiser, Daniel R. Olson, Amitava Roy, Vishwesh Venkatraman, Travis J. Wheeler, Haribabu Arthanari, Klara Blaschitz, Marco Cespugli, Vedat Durmaz, Konstantin Fackeldey, Patrick D. Fischer, Christoph Gorgulla, Christian Gruber, Karl Gruber, Michael Hetmann, Jamie E. Kinney, Krishna M. Padmanabha Das, Shreya Pandita, Amit Singh, Georg Steinkellner, Guilhem Tesseyre, Gerhard Wagner, Zi-Fu Wang, Ryan J. Yust, Dmitry S. Druzhilovskiy, Dmitry A. Filimonov, Pavel V. Pogodin, Vladimir Poroikov, Anastassia V. Rudik, Leonid A. Stolbov, Alexander V. Veselovsky, Maria De Rosa, Giada De Simone, Maria R. Gulotta, Jessica Lombino, Nedra Mekni, Ugo Perricone, Arturo Casini, Amanda Embree, D. Benjamin Gordon, David Lei, Katelin Pratt, Christopher A. Voigt, Kuang-Yu Chen, Yves Jacob, Tim Krischuns, Pierre Lafaye, Agnès Zettor, M. Luis Rodríguez, Kris M. White, Daren Fearon, Frank Von Delft, Martin A. Walsh, Dragos Horvath, Charles L. Brooks III, Babak Falsafi, Bryan Ford, Adolfo García-Sastre, Sang Yup Lee, Nadia Naffakh, Alexandre Varnek, Günter Klambauer, Thomas M. Hermans
The COVID-19 pandemic continues to pose a substantial threat to human lives and is likely to do so for years to come. Despite the availability of vaccines, searching for efficient small-molecule drugs that are widely available, including in low- and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::28010b1a0350f378ef0dcc633e87f6e1
https://doi.org/10.26434/chemrxiv-2023-1d5w8
https://doi.org/10.26434/chemrxiv-2023-1d5w8
Autor:
Olexandr Isayev, Frank A. Leibfarth, Filipp Gusev, Nicholas G Taylor, Yueh Z. Lee, Matthew D. Verber, Marcus H. Reis, Sang Hun Chung
Publikováno v:
Journal of the American Chemical Society. 143:17677-17689
Modern polymer science suffers from the curse of multidimensionality. The large chemical space imposed by including combinations of monomers into a statistical copolymer overwhelms polymer synthesis and characterization technology and limits the abil
Autor:
S. Benjamin Koby, Evgeny Gutkin, Filipp Gusev, Chamali M. Narangoda, Olexandr Isayev, Maria G. Kurnikova
Publikováno v:
Biophysical Journal. 122:142a-143a
Autor:
Marcus, Reis, Filipp, Gusev, Nicholas G, Taylor, Sang Hun, Chung, Matthew D, Verber, Yueh Z, Lee, Olexandr, Isayev, Frank A, Leibfarth
Publikováno v:
Journal of the American Chemical Society. 143(42)
Modern polymer science suffers from the curse of multidimensionality. The large chemical space imposed by including combinations of monomers into a statistical copolymer overwhelms polymer synthesis and characterization technology and limits the abil
Autor:
Marcus Reis, Filipp Gusev, Nicolas Taylor, Sang Hun Chung, Matthew Verber, Yueh Lee, Olexandr Isayev, Frank Leibfarth
Modern polymer science is plagued by the curse of multidimensionality; the large chemical space imposed by including combinations of monomers into a statistical copolymer overwhelms polymer synthesis and characterization technology and limits the abi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b6f7d74b15592f4e20087a924a55350e
https://doi.org/10.26434/chemrxiv-2021-rwr0w
https://doi.org/10.26434/chemrxiv-2021-rwr0w
Autor:
Sang Hun Chung, Filipp Gusev, Marcus H. Reis, Frank A. Leibfarth, Matthew D. Verber, Yueh Z. Lee, Nicholas G Taylor, Olexandr Isayev
Modern polymer science is plagued by the curse of multidimensionality; the large chemical space imposed by including combinations of monomers into a statistical copolymer overwhelms polymer synthesis and characterization technology and limits the abi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a3a54194c0ac2bf6d19f368c0605d91
https://doi.org/10.33774/chemrxiv-2021-rwr0w
https://doi.org/10.33774/chemrxiv-2021-rwr0w