Projects per year
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Dive into the research topics where Stefan Boresch is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 1 Similar Profiles
Collaborations and top research areas from the last five years
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Projects
- 2 Finished
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Effects of tautomerization on computed binding affinities
Boresch, S., Woodcock, H. L. & Brooks, C.
1/05/18 → 30/08/21
Project: Research funding
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CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Texas A&M University, Hwang, W., Austin, S. L., Blondel, A., Boittier, E. D., Boresch, S., Buck, M., Buckner, J., Caflisch, A., Chang, H. T., Cheng, X., Choi, Y. K., Chu, J. W., Crowley, M. F., Cui, Q., Damjanovic, A., Deng, Y., Devereux, M., Ding, X., Feig, M. F., & 32 others, 2024, (E-pub ahead of print) In: Journal of Physical Chemistry B.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Insights and Challenges in Correcting Force Field Based Solvation Free Energies Using a Neural Network Potential
Karwounopoulos, J., Wu, Z., Tkaczyk, S., Wang, S., Baskerville, A., Ranasinghe, K., Langer, T., Wood, G. P. F., Wieder, M. & Boresch, S., 18 Jul 2024, In: Journal of Physical Chemistry B. 128, 28, p. 6693-6703 11 p.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
On Analytical Corrections for Restraints in Absolute Binding Free Energy Calculations
Boresch, S., 13 May 2024, In: Journal of Chemical Information and Modeling. 64, 9, p. 3605-3609 5 p.Publications: Contribution to journal › Article › Peer Reviewed
Open Access
Activities
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Reducing free energy simulations to the essentials -- The Transformato package
Stefan Boresch (Invited speaker)
13 May 2024Activity: Talks and presentations › Talk or oral contribution › Science to Science
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A first look at condensed phase properties of water using ANI-2x
Anna Katharina Picha (Contributor), Johannes Karwounopoulos (Contributor), Stefan Boresch (Contributor) & Marcus Wieder (Contributor)
17 Mar 2024Activity: Talks and presentations › Poster presentation › Science to Science
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Have Alchemical Free Energy Simulations Come of Age?
Stefan Boresch (Invited speaker)
17 Mar 2024Activity: Talks and presentations › Talk or oral contribution › Science to Science