Skip to content
DraconiticResearch
Search Sources API
203,234 studies31 sourcesUpdated 43 min ago
PreprintLicence not statedChemRxiv

What Cycle Closure Can and Cannot See in a Relative Binding Free Energy Network

  • Nikita L. Polomoshnov
Open at sourceDOICite

Related

  1. Electronic Descriptors Lower Oxygen-Vacancy Formation-Energy Error Relative to Crystal Structure Alone in Non-Magnetic Oxides
    Palaash Gang, Aiden Lee, Qi Wu
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  2. Molecular Mechanics-Based Symmetric Two-State Energy-Gap Estimation of Binding Free Energies
    Eiko Koizumi, Jonathan Creasey, Mohammad Alam +1
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  3. Comparative Analysis of Basic Machine Learning and Rigorous Free-Energy Calculation on Benchmarking Datasets of Protein-Ligand Binding Affinity
    Stefan J. P. Chrin, Gregory A. Landrum, Sereina Riniker
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  4. Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE
    Hannah M. Baumann, Josh T. Horton, Michael M. Henry +39
    Journal of Chemical Information and ModelingPeer-reviewedLicence not stated20 citedMedicinal chemistry & drug discoveryOpenAlex
  5. Enhanced sampling enables binding site water reorganization in polarizable absolute binding free energy calculations
    Marharyta Blazhynska, Narjes Ansari, Louis Lagardère +1
    Communications ChemistryPeer-reviewedCC BY 4.0Full text5 citedTheoretical & computational chemistryBiological & medical physicsNatureCrossrefHALOpenAlex

Cite

BibTeXRIS
BibTeX
@misc{polomoshnov2026what,
  title = {{What Cycle Closure Can and Cannot See in a Relative Binding Free Energy Network}},
  author = {Nikita L. Polomoshnov},
  howpublished = {ChemRxiv},
  year = {2026},
  month = aug,
  doi = {10.26434/chemrxiv.15007931/v2},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15007931/v2},
}
RIS
TY  - UNPB
TI  - What Cycle Closure Can and Cannot See in a Relative Binding Free Energy Network
AU  - Nikita L. Polomoshnov
PY  - 2026
DA  - 2026/08/31
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15007931/v2
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15007931/v2
ER  -