Evidence map›Paper›PMID 37503302›Full record

ArticlebioRxiv : the preprint server for biology2023

PopShift: A thermodynamically sound approach to estimate binding free energies by accounting for ligand-induced population shifts from a ligand-free MSM.

Louis G Smith, Borna Novak, Meghan Osato, David L Mobley, Gregory R Bowman

Open access · greenAbstract readPreprint
PubMed Full text at PMC Publisher
In one paragraph

Article in bioRxiv : the preprint server for biology, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed, 1 citations in OpenAlex.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

5 authors at 3 institutions in 1 country.

Louis G SmithUniversity of Pennsylvania, Depts. of Biochemistry & Biophysics and Bioengineering.
Borna NovakWashington University in St. Louis, Department of Biochemistry and Molecular Biophysics.
Meghan OsatoUniversity of California Irvine, School of Pharmacy and Pharmaceutical Sciences.
David L MobleyUniversity of California Irvine, School of Pharmacy and Pharmaceutical Sciences.
Gregory R BowmanUniversity of Pennsylvania, Depts. of Biochemistry & Biophysics and Bioengineering.
University of California, Irvine · USUniversity of Pennsylvania · USWashington University in St. Louis · US

Funding

Open data-driven infrastructure for building biomolecular force fields for predictive biophysics and drug designR01GM132386 · NIGMS · UNIVERSITY OF COLORADO · PI SHIRTS, MICHAEL R · 2020 to 2023
$3.1M
Accelerating drug discovery via ML-guided iterative design and optimizationR35GM148236 · NIGMS · UNIVERSITY OF CALIFORNIA-IRVINE · PI David Lowell Mobley · 2023 to 2026
$2.2M
Structural basis for ApoE4-induced Alzheimer's diseaseRF1AG067194 · NIA · WASHINGTON UNIVERSITY · PI BOWMAN, GREGORY · 2021 to 2021
$1.8M
NIA NIH HHS RF1 AG067194NIGMS NIH HHS R01 GM132386NIGMS NIH HHS R35 GM148236
6 · The paper itself

Abstract

Obtaining accurate binding free energies from

Identifiers

PMID37503302
PMCPMC10370083
OpenAlexW4384697003

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.