Search Result "CHARMm"

Review Article

Current Tools and Methods in Molecular Dynamics (MD) Simulations for Drug Design

Journal: Current Medicinal Chemistry
Volume: 23 Issue: 34 Year: 2016 Page: 3909-3924
Author(s): Maricarmen Hernández-Rodríguez,Martha C. Rosales-Hernández,Jessica E. Mendieta-Wejebe,Marlet Martínez-Archundia,José Correa Basurto

Efficient Isothermal Titration Calorimetry Technique Identifies Direct Interaction of Small Molecule Inhibitors with the Target Protein

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 1 Year: 2016 Page: 4-13
Author(s): Maayan Gal,Itai Bloch,Nelia Shechter,Olga Romanenko,Ofer M. Shir

Research Article

Design-Based Peptidomimetic Ligand Discovery to Target HIV TAR RNA Using Comparative Analysis of Different Docking Methods

Journal: Current HIV Research
Volume: 14 Issue: 6 Year: 2016 Page: 476-483
Author(s): Junjie Fu,Amy Xia,Yao Dai,Xin Qi

TiO2-SO42- Catalyzed Synthesis and Antimicrobial Activity / Molecular Docking Studies of β-Indolylnitroalkanes

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 4 Year: 2016 Page: 290-297
Author(s): Sarva Santhisudha,Soora Harinath Jayaprakash,Gundluru Mohan,Yellapu Nanda Kumar,Vaithiyanathan Suganthi,Vaithiyalingam Mohanasrinivasan,Cirandur Suresh Reddy

Clarification of Interaction Mechanism of Mouse Hepatitis Virus (MHV) N and nsp3 Protein with Homology Modeling and Protein-Protein Docking Analysis

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 2 Year: 2016 Page: 98-106
Author(s): Gizem Tatar,Tugba Taskin Tok

Research Article

In Silico Analysis of Green Tea Polyphenols as Inhibitors of AChE and BChE Enzymes in Alzheimer’s Disease Treatment

Journal: CNS & Neurological Disorders - Drug Targets
Volume: 15 Issue: 5 Year: 2016 Page: 624-628
Author(s): Babar Ali,Qazi M.S. Jamal,Saiba Shams,Naser A. Al-Wabel,Mughees U. Siddiqui,Mohammad A. Alzohairy,Mohammed A. Al Karaawi,Kavindra Kumar Kesari,Gohar Mushtaq,Mohammad A. Kamal

Design of Broad-Spectrum Inhibitors of Influenza A Virus M2 Proton Channels: A Molecular Modeling Approach

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 2 Year: 2016 Page: 154-164
Author(s): Yuri N. Klimochkin,Vadim A. Shiryaev,Pavel V. Petrov,Eugene V. Radchenko,Vladimir A. Palyulin,Nikolay S. Zefirov

Current Advances in the Identification and Characterization of Putative Drug and Vaccine Targets in the Bacterial Genomes

Journal: Current Topics in Medicinal Chemistry
Volume: 16 Issue: 9 Year: 2016 Page: 1040-1069
Author(s): Mohd. Shahbaaz,Krishna Bisetty,Faizan Ahmad,Md. Imtaiyaz Hassan

Shining Light on an mGlu5 Photoswitchable NAM: A Theoretical Perspective

Journal: Current Neuropharmacology
Volume: 14 Issue: 5 Year: 2016 Page: 441-454
Author(s): James A.R. Dalton,Isaias Lans,Xavier Rovira,Fanny Malhaire,Xavier Gómez-Santacana,Silvia Pittolo,Pau Gorostiza,Amadeu Llebaria,Cyril Goudet,Jean-Philippe Pin,Jesús Giraldo

Common and Distinct Interactions of Chemical Inhibitors with Cytochrome P450 CYP1A2, CYP2A6 and CYP2B6 Enzymes

Journal: Drug Metabolism Letters
Volume: 10 Issue: 1 Year: 2016 Page: 56-64
Author(s): Hannu Raunio,Risto O. Juvonen,Antti Poso,Maija Lahtela-Kakkonen,Minna Rahnasto-Rilla

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