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Research article

First published 2023-1

Free energy perturbation–based large-scale virtual screening for effective drug discovery against COVID-19

Zhe Li, Chengkun Wu, Yishui Li [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2008-8

Docking-MM-GB/SA and ADME Screening of HIV-1 NNRTI Inhibitor: Nevirapine and its Analogues

Dipankar Sengupta, Deeptak Verma, Pradeep Kumar Naik

In Silico Biology

Open access

Research article

First published 2016

Interaction Analysis of T7 RNA Polymerase with Heparin and Its Low Molecular Weight Derivatives – An in Silico Approach

Subhomoi Borkotoky, Chetan Kumar Meena, Ayaluru Murali

Bioinformatics and Biology Insights

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Research article

First published 2025

Quantitative analysis of reactive dye–cellulose affinity via molecular dynamics simulations verified by diffusion experiments

Hongxia Long, Wei Wu, Hong Xu [...]

Textile Research Journal

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Research article

First published 1971-1

Measurements of Chemical Shifts in the Photoelectron Spectra of Arsenic and Bromine Compounds

L. D. Hulett, T. A. Carlson

Applied Spectroscopy

Open access

Research article

First published 2024

Investigating Lasofoxifene Efficacy Against the Y537S + F404V Double-Mutant Estrogen Receptor Alpha Using Molecular Dynamics Simulations

El Mehdi Bouricha, Mohammed Hakmi

Bioinformatics and Biology Insights

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Research article

First published 2008-12

DNA-Binding Cytotoxic Alkaloids: Comparative Study of the Energetics of Binding of Berberine,Palmatine,and Coralyne

Kakali Bhadra, Motilal Maiti, Gopinatha Suresh Kumar

DNA and Cell Biology

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Research article

First published 1991-08

Binding of Acid and Basic Dyes by Wool Keratin Derivatives

Young Joo Kim, Kenji Kono, Toru Takagishi

Textile Research Journal

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Research article

First published 2012

Surface Energy Characteristics and Impact of Natural Minerals on Aggregate–Bitumen Bond Strengths and Asphalt Mixture Durability

Clint Miller, Dallas N. Little, Amit Bhasin [...]

Transportation Research Record: Journal of the Transportation Research Board

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Research article

First published 2018-01

Viral Capsid Assembly: A Quantified Uncertainty Approach

Nathan Clement, Muhibur Rasheed, Chandrajit Lal Bajaj

Journal of Computational Biology

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