Molecular Electrostatic Potential - Articles - Scientific Research Publishing

Mechanistic Insights into Structural Stability of the Selectivity Filters in Typical Cation Channels (Articles)

Zhoubin Tang, Hu Qiu, Wanlin Guo

Journal of Materials Science and Chemical Engineering Vol.10 No.7, July 29, 2022

DOI: 10.4236/msce.2022.107002 264 Downloads 1,075 Views Citations
Designing Artemisinins with Antimalarial Potential, Combining Molecular Electrostatic Potential, Ligand-Heme Interaction and Multivariate Models (Articles)

Josué de Jesus Oliveira Araújo, Ricardo Morais de Miranda, Jeferson Stiver Oliveira de Castro, Antonio Florêncio de Figueiredo, Ana Cecília Barbosa Pinheiro, Sílvia Simone dos Santos Morais, Marcos Antonio Barros dos Santos, Andréia de Lourdes Ribeiro Pinheiro, Andréia de Lourdes Ribeiro Pinheiro, Fábio dos Santos Gil, Heriberto Rodrigues Bitencourt, Gustavo Nery Ramos Alves, José Ciríaco Pinheiro

Computational Chemistry Vol.11 No.1, December 1, 2022

DOI: 10.4236/cc.2023.111001 381 Downloads 1,606 Views Citations
Interaction of Iron(III)-5,10,15,20-Tetrakis (4-Sulfonatophenyl) Porphyrin with Chloroquine, Quinine and Quinidine (Articles)

Dikima D. Bibelayi, Pitchouna I. Kilunga, Albert S. Lundemba, Matthieu K. Bokolo, Pius T. Mpiana, Philippe V. Tsalu, Juliette Pradon, Colin C. Groom, Celine W. Kadima, Luc Van Meervelt, Zephyrin G. Yav

Crystal Structure Theory and Applications Vol.6 No.3, August 11, 2017

DOI: 10.4236/csta.2017.63003 1,515 Downloads 3,485 Views Citations
Docking of Human Heat Shock Protein 90 with Selenoderivatives of Geldanamycin (Articles)

Jason T. Kilembe, Albert S. Lundemba, Dikima D. Bibelayi, Glodi M. Ndefi, Juliette Pradon, Zéphyrin G. Yav

Crystal Structure Theory and Applications Vol.8 No.2, May 31, 2019

DOI: 10.4236/csta.2019.82002 788 Downloads 2,218 Views Citations
Docking of Glycokinase with Oxo, Sulfo, and Seleno Derivatives of the Carboxamide Activator S41 (Articles)

Glodi M. Ndefi, Albert S. Lundemba, Dikima D. Bibelayi, Jason T. Kilembe, Eliakim M. Kambale, Céline W. Kadima, Zéphyrin G. Yav

Crystal Structure Theory and Applications Vol.9 No.2, May 9, 2020

DOI: 10.4236/csta.2020.92003 559 Downloads 1,547 Views Citations
Theoretical Investigation on the Stability and Reactivity of Imidazo [1,2-a] Pyridine N-Acylhydrazone Derivatives Using Density Functional Theory (Articles)

Camara Tchambaga Etienne, Sangare Kassoum, Dosso Ouehi, Ablo Evrard, Sekou Diomande, Souleymane Coulibaly, Siomenan Coulibali

Computational Chemistry Vol.12 No.1, January 31, 2024

DOI: 10.4236/cc.2024.121001 223 Downloads 847 Views Citations
Moderated PEF from Transitioning between the Micro and Macroscopic Usage of Coulomb’s Law (Articles)

Eve G. Zoebisch

Computational Chemistry Vol.3 No.1, January 16, 2015

DOI: 10.4236/cc.2015.31002 3,385 Downloads 5,188 Views Citations
Electromagnetic nature of nuclear forces and the toroid structure of the helion and the alpha particle (Articles)

Kiril Kolikov

Natural Science Vol.4 No.7, July 10, 2012

DOI: 10.4236/ns.2012.47065 5,417 Downloads 8,394 Views Citations
Comparison of Molecular Properties (Stabilities, Reactivity and Interaction) of Manzamenones and Two Antimalarial Drugs (Quinine and Artemisinin) Using Mixed Method Calculations (ONIOM) and DFT (B3LYP) (Articles)

Atse Adepo Jacques, Kone Soleymane, Diomande Sékou, Bamba El-Hadji Sawaliho

Computational Chemistry Vol.10 No.1, January 27, 2022

DOI: 10.4236/cc.2022.101001 403 Downloads 1,573 Views Citations
Study of Ni/Al Interface Diffusion by Molecular Dynamics Simulation (Articles)

Chunguang Zhang, Hao Wang, Yishen Qiu

Engineering Vol.3 No.3, March 7, 2011

DOI: 10.4236/eng.2011.33026 5,707 Downloads 10,408 Views Citations
Treatment of Pulp and Paper Mill Wastewater with Various Molecular Weight of PolyDADMAC Induced Flocculation with Polyacrylamide in the Hybrid System (Articles)

M. A. A. Razali, Z. Ahmad, A. Ariffin

Advances in Chemical Engineering and Science Vol.2 No.4, November 1, 2012

DOI: 10.4236/aces.2012.24060 7,064 Downloads 12,376 Views Citations
Effect of zeta potentials on bovine serum albumin adsorption on crown composite resin surfaces in vitro (Articles)

Nahoko Miyake, Tadashi Miura, Toru Sato, Masao Yoshinari

Journal of Biomedical Science and Engineering Vol.6 No.3, March 21, 2013

DOI: 10.4236/jbise.2013.63034 5,007 Downloads 7,872 Views Citations
Study of the Physical and Mechanical Properties of Titanium in Volume by the MEAM Method (Articles)

Yahnn J. Mighensle Mimboui, Alain S. Dzabana Honguelet, Timothée Nsongo

Modeling and Numerical Simulation of Material Science Vol.14 No.1, December 8, 2023

DOI: 10.4236/mnsms.2024.141003 284 Downloads 1,182 Views Citations
Dimensional Dependence of Electrostatic Equilibrium in Conductors: A Critical Analysis (Articles)

Ektor G. Papanikos

Journal of Electromagnetic Analysis and Applications Vol.17 No.6, June 30, 2025

DOI: 10.4236/jemaa.2025.176006 81 Downloads 558 Views Citations
Consequences of Non-Uniformity in the Stoichiometry of Component Fractions within One and Two Loops Models of α-Helical Peptides (Articles)

Walter F. Schmidt, Cathleen J. Hapeman, James Wachira, Clayton G. Thomas

Journal of Biophysical Chemistry Vol.5 No.4, November 14, 2014

DOI: 10.4236/jbpc.2014.54014 5,061 Downloads 5,959 Views Citations
Insufficiency of Cellular Energy (ICE) May Precede Neurodegeneration in Alzheimer’s Disease and Be Treatable via the Alternative Cellular Energy (ACE) Pathway (Articles)

W. John Martin

Advances in Alzheimer's Disease Vol.6 No.1, March 2, 2017

DOI: 10.4236/aad.2017.61001 2,193 Downloads 3,786 Views Citations
Hyper-Excitability Followed by Functional Quiescence in Neuronal Cells Caused by Insufficient Cellular Energy (ICE): Treatable by Enhancing the Alternative Cellular Energy (ACE) Pathway (Articles)

W. John Martin

World Journal of Neuroscience Vol.7 No.3, June 23, 2017

DOI: 10.4236/wjns.2017.73021 1,355 Downloads 2,917 Views Citations
Single Adatom Adsorption and Diffusion on Fe Surfaces (Articles)

Changqing Wang, Dahu Chang, Chunjuan Tang, Jianfeng Su, Yongsheng Zhang, Yu Jia

Journal of Modern Physics Vol.2 No.9, September 19, 2011

DOI: 10.4236/jmp.2011.29130 5,565 Downloads 10,006 Views Citations
A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum (Articles)

Nicolay I. Dodoff

Computational Molecular Bioscience Vol.2 No.2, June 29, 2012

DOI: 10.4236/cmb.2012.22004 6,916 Downloads 17,578 Views Citations
Numerical Evaluation of the Surface Energy of Polyhedral Nanoparticles (Articles)

Takuya Uehara, Junya Fujiwara

Materials Sciences and Applications Vol.11 No.12, December 17, 2020

DOI: 10.4236/msa.2020.1112055 791 Downloads 2,344 Views Citations

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