Search Result "Molecular Electrostatic Potentials (MEP)"
Molecular Electrostatic Potential as a Graph
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 272-280
Author(s): Edgar E. Daza,Julio Maza,Raul Torres
Implementation of the Molecular Electrostatic Potential over GPUs: Large Systems as Main Target
Ebook: Frontiers in Computational Chemistry
Volume: 5 Year: 2020
Author(s): J. César Cruz,Ponciano GarcÃa-Gutierrez,Rafael A. Zubillaga,Rubicelia Vargas,Jorge Garza
Doi: 10.2174/9789811457791120050006
Autocorrelation of Molecular Electrostatic Potential Surface Properties Combined with Partial Least Squares Analysis as Alternative Attractive Tool to Generate Ligand-Based 3D-QSARs
Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 1 Year: 2005 Page: 13-21
Author(s): Stefano Moro, Magdalena Bacilieri, Cristina Ferrari, Giampiero Spalluto
New Small-Size Antifungal Peptides: Design, Synthesis and Antifungal Activity
Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 6 Year: 2011 Page: 562-567
Author(s): Adriana D. Garro, Francisco M. Garibotto, Ana M. Rodriguez, Marcela Raimondi, Susana A. Zacchino, Andras Perczel, Csaba Somlai, Botond Penke, Ricardo D. Enriz
Molecular Modeling of Substances Isolated from the Essential Oil of the Species Drimys angustifolia and Drimys brasiliensis
Journal: Current Physical Chemistry
Volume: 11 Issue: 1 Year: 2021 Page: 4-17
Author(s): Neuziane Dias Conceição,Lucilene Rocha de Souza,Jaderson Vieira Ferreira,Maiara de Fátima Brito Brito,Abraão Alves Pinheiro,Karina Rufino da Silva,Carlton Anthony Taft,Carlos Henrique Tomich de Paula da Silva,Madson Ralide Fonseca Gomes,Lorane Izabel da Silva Hage-Melim
Molecular Docking, Topological Analysis and Vibrational Studies on N-(2-Bromoethyl) Succinimide: Antidepressant Agent
Journal: Letters in Organic Chemistry
Volume: 18 Issue: 10 Year: 2021 Page: 797-811
Author(s): Aslı EÅme
Experimental and Theoretical Approach to Novel Polyfunctionalized Isoxazole
Journal: Current Organic Chemistry
Volume: 25 Issue: 7 Year: 2021 Page: 849-856
Author(s): Amal Al-Azmi,Mona A. Shalaby
Comparative Molecular Surface Analysis (CoMSA) for Virtual Combinatorial Library Screening of Styrylquinoline HIV-1 Blocking Agents
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 9 Issue: 1 Year: 2006 Page: 753-770
Author(s): Halina Niedbala, Jaroslaw Polanski, Rafal Gieleciak, Robert Musiol, Dominik Tabak, Barbara Podeszwa, Andrzej Bak, Anna Palka, Jean-Francois Mouscadet, Johann Gasteiger, Marc Le Bret
In Silico Stereo-Electronic Analysis of PMD (p-Menthane-3-8-Diol) and its Derivatives for Pharmacophore Development May Aid Discovery of Novel Insect Repellents
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 3 Year: 2013 Page: 308-316
Author(s): Apurba K. Bhattacharjee
Multiscale Molecular Dynamics of Protein Aggregation
Journal: Current Protein & Peptide Science
Volume: 12 Issue: 3 Year: 2011 Page: 221-234
Author(s): Cesar L. Avila, Nils J. D. Drechsel, Raul Alcantara, Jordi Villa-Freixa