Search Result "molecular modeling"


In Vitro and In Vivo Models for Analysis of Resistance to Anticancer Molecular Therapies

Journal: Current Medicinal Chemistry
Volume: 21 Issue: 14 Year: 2014 Page: 1595-1606
Author(s): Roberta Rosa,Francesca Monteleone,Nicola Zambrano,Roberto Bianco

Molecular Modeling of MOF-based Mixed Matrix Membranes

Journal: Current Organic Chemistry
Volume: 18 Issue: 18 Year: 2014 Page: 2364-2380
Author(s): Ilknur Erucar,Seda Keskin

Molecular Modeling and Docking Application to Evaluate Cruzain Inhibitory Activity by Chalcones and Hydrazides

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 3 Year: 2014 Page: 249-255
Author(s): Drielli Gomes Vital,Marco Arribas,Gustavo Henrique Goulart Trossini

Molecular Dynamics, Density Functional Theory, Pharmacophore Modeling, Molecular Interaction Fields and ADME/Tox Investigation of Novel Bioactive Compounds Interacting with CDK2 Surfaces

Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 94-105
Author(s): Fernanda P. Ferreira,Wagner F. Couto,Vanessa Fontana,Carlton A. Taft,Carlos H.T.P. Da Silva

Homology Modeling of Human Kynurenine Aminotransferase III and Observations on Inhibitor Binding Using Molecular Docking

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 14 Issue: 1 Year: 2014 Page: 2-9
Author(s): Alireza Nematollahi,William B. Church,Naveed A. Nadvi,Mark D. Gorrell,Guanchen Sun

Lacosamide Derivatives with Anticonvulsant Activity as Carbonic Anhydrase Inhibitors. Molecular Modeling, Docking and QSAR Analysis

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 2 Year: 2014 Page: 160-167
Author(s): Juan C. Garro Martinez,Esteban G. Vega-Hissi,Matias F. Andrada,Pablo R. Duchowicz,Francisco Torrens,Mario R. Estrada

Modulation of Toll-Like Receptor 4. Insights from X-Ray Crystallography and Molecular Modeling

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 2 Year: 2014 Page: 2672-2683
Author(s): Javier Klett, Jake Reeves, Nils Oberhauser, Lucia Perez-Regidor, Sonsoles Martin-Santamaria

Molecular Structural Characteristics Important in Drug-HSA Binding

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 10 Year: 2014 Page: 879-890
Author(s): Snezana Agatonovic-Kustrin,David W. Morton,Lisa Truong,Slavica Razic

Structural Findings and Molecular Modeling Approach of a TFPI-Like Inhibitor

Journal: Protein & Peptide Letters
Volume: 21 Issue: 5 Year: 2014 Page: 452-457
Author(s): Kerly Fernanda Mesquita Pasqualoto,Andrea Balan,Sandra Alves Barreto,Simone Michaela Simons,Ana Marisa Chudzinski-Tavassi

Solvation Models: Theory and Validation

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3266-3280
Author(s): Enrico O. Purisima,Traian Sulea

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