Improving the Computational Efficiency of the Adaptive Biasing Force Sampling by Leveraging the Telescopic-Solvation Scheme

Supplementary information for manuscript "Improving the Computational Efficiency of the Adaptive Biasing Force Sampling by Leveraging the Telescopic-Solvation Scheme" by Diship Srivastava and Niladri Patra, Department of Chemistry and Chemical Biology, Indian Institute of Technology (ISM) Dhanbad, Dhanbad - 826004, India email : [email protected]

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2024-09-05
DOI
https://doi.org/10.5281/zenodo.13691435
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
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article

Improving the Computational Efficiency of the Adaptive Biasing Force Sampling by Leveraging the Telescopic-Solvation Scheme

Zenodo (CERN European Organization for Nuclear Research)
Computational Drug Discovery Methods
article

Improving the Computational Efficiency of the Adaptive Biasing Force Sampling by Leveraging the Telescopic-Solvation Scheme

article en

Abstract

Supplementary information for manuscript "Improving the Computational Efficiency of the Adaptive Biasing Force Sampling by Leveraging the Telescopic-Solvation Scheme" by Diship Srivastava and Niladri Patra, Department of Chemistry and Chemical Biology, Indian Institute of Technology (ISM) Dhanbad, Dhanbad - 826004, India email : [email protected]

Zenodo (CERN European Organization for Nuclear Research)
Indian Institute of Technology Dhanbad (IN)
Industry, innovation and infrastructure
Openalex Percentile: Top 60%
Computational Drug Discovery Methods
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Improving the Computational Efficiency of the Adaptive Biasing Force Sampling by Leveraging the Telescopic-Solvation Scheme · Zenodo (CERN European Organization for Nuclear Research) (2024) | TGRS Research Map | TGRS