Product
Help
Pricing
About
Jobs
Log in
Get started
Author
Add to collection
Sheenam Khuttan
Institution:
SandboxAQ
Observed institutions:
The Graduate Center, CUNY,
City University of New York,
SandboxAQ,
Brooklyn College
ORCID:
0000-0002-8873-6359
Observed ORCID:
0000-0002-8873-6359
OpenAlex ID:
A5008067608
Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method
2022
·
Solmaz Azimi
, Sheenam Khuttan
, et al.
·
Journal of Chemical Information and Modeling
·
55
Alchemical Transfer Approach to Absolute Binding Free Energy Estimation
2021
·
Joe Z. Wu
, Solmaz Azimi
, et al.
·
Journal of Chemical Theory and Computation
·
46
PDF
Machine Learning Guided AQFEP: A Fast and Efficient Absolute Free Energy Perturbation Solution for Virtual Screening
2024
·
Jordan E. Crivelli-Decker
, Zane Beckwith
, et al.
·
Journal of Chemical Theory and Computation
·
23
PDF
Alchemical transformations for concerted hydration free energy estimation with explicit solvation
2021
·
Sheenam Khuttan
, Solmaz Azimi
, et al.
·
The Journal of Chemical Physics
·
22
PDF
Taming multiple binding poses in alchemical binding free energy prediction: the β-cyclodextrin host–guest SAMPL9 blinded challenge
2023
·
Sheenam Khuttan
, Solmaz Azimi
, et al.
·
Physical Chemistry Chemical Physics
·
16
PDF
Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challenge
2022
·
Solmaz Azimi
, Joe Z. Wu
, et al.
·
Journal of Computer-Aided Molecular Design
·
12
What to Make of Zero: Resolving the Statistical Noise from Conformational Reorganization in Alchemical Binding Free Energy Estimates with Metadynamics Sampling
2024
·
Sheenam Khuttan
, Emilio Gallicchio
·
Journal of Chemical Theory and Computation
·
7
Discovery of Selective Small-Molecule Ligands of SV2C by AI-Enhanced Virtual Screening and Experimental Validation
2026
·
Alexander C. Brueckner
, Matthew F. Martin
, et al.
·
bioRxiv (Cold Spring Harbor Laboratory)
PDF
The Good, The Bad, and The Ugly of Antibody Design: A Roadmap for Integrating Co-folding with Absolute Binding Free Energy Calculations
2026
·
Amogh Sood
, Punit K. Jha
, et al.
·
ChemRxiv
The Good, The Bad, and The Ugly of Antibody Design: A Roadmap for Integrating Co-folding with Absolute Binding Free Energy Calculations
2026
·
Jha, Punit
, Sood, Amogh
, et al.
·
Zenodo (CERN European Organization for Nuclear Research)
Show more works
View as search
Works count:
10
Citation count:
181
H-index:
7
I10-index:
6
Year
Topic
Type
