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Research article

First published 2011-3

On the Integration of Pharmacophore Model and Molecular Docking Method

G. Dong, X.J. Deng, J.H. Xiao

Journal of Algorithms & Computational Technology

Open access

Research article

First published 2021-2

Research on car-following model based on molecular dynamics

Yanfeng Jia, Dayi Qu, Lewei Han [...]

Advances in Mechanical Engineering

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Research article

First published 2000-2

A Molecular Modelling Approach of the Structure of Cyclophosphazenes

Karine Vercruysse, Christiane Vidal, Jean-François Labarre

Main Group Chemistry

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Research article

First published 2008-07

On Constitutive Models for Limited Elastic,Molecular Based Materials

Millard F. Beatty

Mathematics and Mechanics of Solids

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Research article

First published 2002-8

Finite Elements Molecular Surfaces in Continuum Solvent Models for Large Chemical Systems

G. Scalmani, N. Rega, M. Cossi [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2009-6

Molecular Modeling,NOESY NMR,and the Structure of Nicandrenone Isolated from Nicandra Physalodes (Solanaceae)

Patrick F. Jonas, Geoffrey A. Cordell

Natural Product Communications

Open access

Research article

First published 2009

A Novel Information Retrieval Model for High-Throughput Molecular Medicine Modalities

Firas H. Wehbe, Steven H. Brown, Pierre P. Massion [...]

Cancer Informatics

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Research article

First published 2011-11

Interaction of Bisphenol A with Bovine Hemoglobin Using Spectroscopic and Molecular Modeling Methods

Xiaoyan Fang, Shutao Cao, Rutao Liu

Applied Spectroscopy

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Research article

First published 2023-9

Electrochemical and molecular modelling studies of corrosion inhibition characteristics of imidazolines on 1Cr steel under sweet conditions

Shivangi Gupta, Rouhollah Yazdi, Martin Andersson [...]

Corrosion Engineering,Science and Technology: The International Journal of Corrosion Processes and Corrosion Control

Open access

Research article

First published 2024-01

Proposal of pharmacophore model for HIV reverse transcriptase inhibitors: Combined mutational effect analysis,molecular dynamics,molecular docking and pharmacophore modeling study

Azzeddine Annan, Noureddine Raiss, Sanae Lemrabet [...]

International Journal of Immunopathology and Pharmacology

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