Data for the manuscript "Role of Second-Shell Electrostatics in Serine Proteases: Machine Learning-Driven Reaction Sampling Yields Insights for Enzyme Design"

Supplementary data for the manuscript. Provided are PyMol sessions with conserved charge locations, sequence alignment, DeepTDA models, Plumed input files.

Institutions

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2024-10-05
DOI
https://doi.org/10.5281/zenodo.13894222
Primary Topic
Protein Structure and Dynamics
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Data for the manuscript "Role of Second-Shell Electrostatics in Serine Proteases: Machine Learning-Driven Reaction Sampling Yields Insights for Enzyme Design"

Zenodo (CERN European Organization for Nuclear Research)
Protein Structure and Dynamics
article

Data for the manuscript "Role of Second-Shell Electrostatics in Serine Proteases: Machine Learning-Driven Reaction Sampling Yields Insights for Enzyme Design"

article en

Abstract

Supplementary data for the manuscript. Provided are PyMol sessions with conserved charge locations, sequence alignment, DeepTDA models, Plumed input files.

Zenodo (CERN European Organization for Nuclear Research)
Leipzig University (DE)
Openalex Percentile: Top 71%
Protein Structure and Dynamics
DOIOpen Access PDFOpenAlex
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.

Data for the manuscript "Role of Second-Shell Electrostatics in Serine Proteases: Machine Learning-Driven Reaction Sampling Yields Insights for Enzyme Design" · Zenodo (CERN European Organization for Nuclear Research) (2024) | TGRS Research Map | TGRS