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Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge. [electronic resource] by
- König, Gerhard
- Pickard, Frank C
- Huang, Jing
- Simmonett, Andrew C
- Tofoleanu, Florentina
- Lee, Juyong
- Dral, Pavlo O
- Prasad, Samarjeet
- Jones, Michael
- Shao, Yihan
- Thiel, Walter
- Brooks, Bernard R
Producer: 20171011
In:
Journal of computer-aided molecular design vol. 30
Availability: No items available.
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13.
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The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. [electronic resource] by
- Knecht, Kirsten M
- Buzovetsky, Olga
- Schneider, Constanze
- Thomas, Dominique
- Srikanth, Vishok
- Kaderali, Lars
- Tofoleanu, Florentina
- Reiss, Krystle
- Ferreirós, Nerea
- Geisslinger, Gerd
- Batista, Victor S
- Ji, Xiaoyun
- Cinatl, Jindrich
- Keppler, Oliver T
- Xiong, Yong
Producer: 20181211
In:
Proceedings of the National Academy of Sciences of the United States of America vol. 115
Availability: No items available.
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Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory. [electronic resource] by
- Cournia, Zoe
- Allen, Toby W
- Andricioaei, Ioan
- Antonny, Bruno
- Baum, Daniel
- Brannigan, Grace
- Buchete, Nicolae-Viorel
- Deckman, Jason T
- Delemotte, Lucie
- Del Val, Coral
- Friedman, Ran
- Gkeka, Paraskevi
- Hege, Hans-Christian
- Hénin, Jérôme
- Kasimova, Marina A
- Kolocouris, Antonios
- Klein, Michael L
- Khalid, Syma
- Lemieux, M Joanne
- Lindow, Norbert
- Roy, Mahua
- Selent, Jana
- Tarek, Mounir
- Tofoleanu, Florentina
- Vanni, Stefano
- Urban, Sinisa
- Wales, David J
- Smith, Jeremy C
- Bondar, Ana-Nicoleta
Producer: 20160418
In:
The Journal of membrane biology vol. 248
Availability: No items available.
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