Search Result "interatomic potential functions"

Interatomic Electronic Decay Processes in Clusters

Ebook: Dynamical Processes In Atomic And Molecular Physics
Volume: 1 Year: 2012
Author(s): Vitali Averbukh,Lorenz S. Cederbaum,Philipp V. Demekhin,Simona Scheit,Premysl Colorenc,Ying-Chin Chiang,Kirill Gokhberg,Soren Kopelk,Nikolai V. Kryzhevoi,Alexander I. Kuleff,Nicolas Sisourat,Spas D. Stoychev
Doi: 10.2174/978160805245511201010029

Research Article

A Comparative Investigation of Complex Conjugate Eigenvalues of Generalized Morse and Classical Lennard-Jones Potential for Metal Atoms

Journal: Nanoscience & Nanotechnology-Asia
Volume: 10 Issue: 3 Year: 2020 Page: 356-363
Author(s): Samuel A. Surulere,Michael Y. Shatalov,Andrew C.P.G. Mkolesia,Adejimi A. Adeniji

Review Article

Electrostatic Potential Energy in Protein-Drug Complexes

Journal: Current Medicinal Chemistry
Volume: 28 Issue: 24 Year: 2021 Page: 4954-4971
Author(s): Gabriela Bitencourt-Ferreira,Walter Filgueira de Azevedo Junior

Computational Methods for Identification of Functional Residues in Protein Structures

Journal: Current Protein & Peptide Science
Volume: 12 Issue: 6 Year: 2011 Page: 456-469
Author(s): Fuxiao Xin, Predrag Radivojac

A New Scoring Function for Molecular Docking Based on AutoDock and AutoDock Vina

Journal: Current Drug Discovery Technologies
Volume: 12 Issue: 3 Year: 2015 Page: 170-178
Author(s): Vsevolod Yu. Tanchuk,Volodymyr O. Tanin,Andriy I. Vovk,Gennady Poda

Probing Dynamic Protein Ensembles with Atomic Proximity Measures

Journal: Current Protein & Peptide Science
Volume: 11 Issue: 7 Year: 2010 Page: 515-522
Author(s): Zoltan Gaspari, Annamaria F. Angyan, Somdutta Dhir, Dino Franklin, Andras Perczel, Alessandro Pintar, Sandor Pongor

Application of Network Theory in Understanding and Predicting Protein Structure and Function

Journal: Current Proteomics
Volume: 5 Issue: 3 Year: 2008 Page: 181-190
Author(s): Jhenny F. Galan, Jun Gao, Vagmita Pabuwal, Peter J. Meek, Zhijun Li

Evaluation of Molecular Docking Using Polynomial Empirical Scoring Functions

Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1062-1070
Author(s): Raquel Dias, Luis Fernando Saraiva Macedo Timmers, Rafael Andrade Caceres, Walter Filgueira de Azevedo Jr.

The Use of Density Functional Theory in Computer-Aided Drug Discovery

Ebook: Computer-Aided Drug Discovery Methods: A Brief Introduction
Volume: 1 Year: 2024
Author(s): Manos C. Vlasiou
Doi: 10.2174/9789815305036124010006

Whither Combine? New Opportunities for Receptor-Based QSAR

Journal: Current Medicinal Chemistry
Volume: 14 Issue: 1 Year: 2007 Page: 1863-1877
Author(s): Gerald H. Lushington, Jian-Xin Guo, Jenna L. Wang

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