My website: https://sukritsingh.github.io
My colleagues @mghersher.bsky.social and @policyhound.bsky.social dug into a recent data release to find the answer. A @science.org exclusive.
www.science.org/content/arti...
My colleagues @mghersher.bsky.social and @policyhound.bsky.social dug into a recent data release to find the answer. A @science.org exclusive.
www.science.org/content/arti...
How many crystal structures do you need to trust your docking results? It turns out, if you know how your main scaffold binds in the pocket, not that many! Check out this work from recently-defended lab member @keysandcompounds.bsky.social
On BioRxiv:
www.biorxiv.org/content/10.1...
How many crystal structures do you need to trust your docking results? It turns out, if you know how your main scaffold binds in the pocket, not that many! Check out this work from recently-defended lab member @keysandcompounds.bsky.social
On BioRxiv:
www.biorxiv.org/content/10.1...
Read more about our work here.
Read more about our work here.
Consider joining me at the University of Freiburg!
uni-freiburg.de/frias/call-f...
Consider joining me at the University of Freiburg!
uni-freiburg.de/frias/call-f...
Accurate drug docking needs crystal struct. Template docking via mol. similarity helps w/ ltd. data.
Accurate drug docking needs crystal struct. Template docking via mol. similarity helps w/ ltd. data.
#PostdocAppreciationWeek
#PostdocAppreciationWeek
doi.org/10.1021/acs....
Alchemical free energy calculations are indispensable in computational drug design. We present an improved approach for optimizing the schedule of alchemical intermediates by minimizing thermodynamic length.
1/7
doi.org/10.1021/acs....
Alchemical free energy calculations are indispensable in computational drug design. We present an improved approach for optimizing the schedule of alchemical intermediates by minimizing thermodynamic length.
1/7
pubs.acs.org/doi/full/10....
pubs.acs.org/doi/full/10....
New for @undark.org
undark.org/2025/03/06/o...
New for @undark.org
undark.org/2025/03/06/o...
right now all three cycles are blocked
if noncompeting awards are frozen, that's a fourth block
American science is running out of oxygen because of an acute airway obstruction
The Pause is dead, Long live the Pause...
right now all three cycles are blocked
if noncompeting awards are frozen, that's a fourth block
American science is running out of oxygen because of an acute airway obstruction
#scicomm
#scicomm
@delauro.house.gov is cochair of the US House Congressional Rapid Response Task Force and Litigation Working Group.
They are looking for instances where the impoundment and restriction of NIH/NSF funds is having a negative impact. Submit examples here delauro.house.gov/constituent-...
@delauro.house.gov is cochair of the US House Congressional Rapid Response Task Force and Litigation Working Group.
They are looking for instances where the impoundment and restriction of NIH/NSF funds is having a negative impact. Submit examples here delauro.house.gov/constituent-...
#pancreas #cancer #mRNA #vaccine #medsky #science #medicine #bluesky
I could not be more thrilled to be working with this dream team.
achira.ai
I talked with CEO @jchodera.bsky.social about plans to combine AI- and physics-based methods for drug discovery and moving beyond 45 years of the same type of models behind molecular dynamics.
My latest @endpts.com:
endpts.com/achira-raise...
I could not be more thrilled to be working with this dream team.
achira.ai