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Journal Article (7)
1.
Journal Article
16 (10), pp. 6702 - 6715 (2020)
Mg2+ Sensing by an RNA Fragment: Role of Mg2+-Coordinated Water Molecules. Journal of Chemical Theory and Computation 2.
Journal Article
16 (42), pp. 9683 - 9692 (2020)
Free-energy landscape of polymer-crystal polymorphism. Soft Matter 3.
Journal Article
150 (22), 221101 (2019)
Finding multiple reaction pathways of ligand unbinding. The Journal of Chemical Physics 4.
Journal Article
16 (8), pp. 670 - 673 (2019)
Promoting transparency and reproducibility in enhanced molecular simulations. Nature methods 5.
Journal Article
149 (7), 072305 (2018)
Chemical potential calculations in non-homogeneous liquids. The Journal of Chemical Physics 6.
Journal Article
149 (7), 072309 (2018)
Frequency adaptive metadynamics for the calculation of rare-event kinetics. The Journal of Chemical Physics 7.
Journal Article
8 (19), pp. 4752 - 4756 (2017)
Conformational Entropy as Collective Variable for Proteins. The Journal of Physical Chemistry Letters Book Chapter (1)
8.
Book Chapter
Variationally Enhanced Sampling. In: Handbook of Materials Modeling: Methods: Theory and Modeling, pp. 1 - 14 (Eds. Andreoni , W.; Yip, S.). Springer, Cham (2018)
Meeting Abstract (1)
9.
Meeting Abstract
257, 88. National Meeting of the American-Chemical-Society (ACS), Orlando, FL, USA, March 31, 2019 - April 04, 2019. ACS, Washington DC, USA (2019)
Recent developments and applications of variationally enhanced sampling. In Abstracts of Papers of the American Chemical Society,