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3 articles related to "Implicit Solvation"

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Articles

Original Research

Published on 24 Jan 2022

Towards Elucidating Structure–Spectra Relationships in Rhamnogalacturonan II: Computational Protocols for Accurate 13C and 1H Shifts for Apiose and Its Borate Esters

in Biological Modeling and Simulation

Vivek S. Bharadwaj
Luke P. Westawker
Michael F. Crowley

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2021.756219

3,011 views

Original Research

Published on 04 Feb 2020

Rational Drug Design of Axl Tyrosine Kinase Type I Inhibitors as Promising Candidates Against Cancer

in Theoretical and Computational Chemistry

Edita Sarukhanyan
Sergey Shityakov
Thomas Dandekar

Frontiers in Chemistry

doi 10.3389/fchem.2019.00920

9,066 views
12 citations

Original Research

Published on 25 Feb 2026

hnRNP A2B1 as a promising therapeutic target for radiomodulatory drug development: evidence from computational and experimental studies

in Experimental Pharmacology and Drug Discovery

N. S. Lubinets
I. S. Tonkii
V. A. Sazonova
K. Dutta
A. E. Putintseva
O. O. Volkova
E. V. Skorb
P. Zun
A. Ruzov
V. Yu. Kravtsov

Frontiers in Pharmacology

doi 10.3389/fphar.2025.1704625

397 views