My website: https://sukritsingh.github.io
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
Foundation simulation models that can be fine-tuned to experimental free energy data to produce systematically more accurate predictions.
Foundation simulation models that can be fine-tuned to experimental free energy data to produce systematically more accurate predictions.
I want to provide some context on what that means and why it matters.
grants.nih.gov/grants/guide...
I want to provide some context on what that means and why it matters.
grants.nih.gov/grants/guide...