Search Result "post-docking refinement."


Post-Docking Optimization and Analysis of Protein-Ligand Interactions of Estrogen Receptor Alpha using AMMOS Software

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 1 Year: 2013 Page: 83-94
Author(s): Tania Pencheva,Dessislava Jereva,Maria A. Miteva,Ilza Pajeva

Investigation of the N-BP Binding at FPPS by Combined Computational Approaches

Journal: Medicinal Chemistry
Volume: 11 Issue: 5 Year: 2015 Page: 417-431
Author(s): Azzurra Stefanucci, Alessandro Marrone, Mariangela Agamennone

Research Article

Alterations in Structural and Biological Activities of Merozoite Surface Protein 2 Due to O-GlcNAc Modification: In Silico Approach

Journal: Current Bioinformatics
Volume: 12 Issue: 5 Year: 2017 Page: 462-470
Author(s): Jawaria Munir,Zeeshan Iqbal,Wajahat M. Qazi,Daniel C. Hoessli,Zahid Mahmood,Nasir Uddin

Atomistic Models for Free Energy Evaluation of Drug Binding to Membrane Proteins

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2011 Page: 2601-2611
Author(s): S. Durdagi, C. Zhao, J. E. Cuervo, S. Y. Noskov

Current State-of-the-art for Quantum Mechanics-based Methods in Drug Design

Ebook: New Developments in Medicinal Chemistry
Volume: 1 Year: 2010
Author(s): Carlton Anthony Taft,Carlos Henrique Tomich de Paula da Silva
Doi: 10.2174/978160805127411001010001

A Combination of 3D-QSAR Modeling and Molecular Docking Approach for the Discovery of Potential HIF Prolyl Hydroxylase Inhibitors

Journal: Medicinal Chemistry
Volume: 9 Issue: 3 Year: 2013 Page: 360-370
Author(s): Mahesh Kumar Teli,Rajanikant Golgodu Krishnamurthy

Research Article

Discovery of Camptothecin Based Topoisomerase I Inhibitors: Identification Using an Atom Based 3D-QSAR, Pharmacophore Modeling, Virtual Screening and Molecular Docking Approach

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 9 Year: 2016 Page: 752-763
Author(s): Sanal Dev,Sunil R. Dhaneshwar,Bijo Mathew

Free Resources to Assist Structure-Based Virtual Ligand Screening Experiments

Journal: Current Protein & Peptide Science
Volume: 8 Issue: 4 Year: 2007 Page: 381-411
Author(s): Bruno O. Villoutreix, Nicolas Renault, David Lagorce, Olivier Sperandio, Matthieu Montes, Maria A. Miteva

Review Article

Protein Engineering Studies for C-C Chemokine Receptor Type 2 (CCR2)

Journal: Current Enzyme Inhibition
Volume: 12 Issue: 2 Year: 2016 Page: 110-114
Author(s): Ramin E. Salmas, Mine Yurtsever, Serdar Durdagi

Novel Glitazones with Diverse Peroxisome Proliferator Activated Receptor Modulatory Potential

Journal: Current Bioactive Compounds
Volume: 9 Issue: 3 Year: 2013 Page: 221-234
Author(s): Thaggikuppe Krishnamurthy Praveen, Moola Joghee Nanjan Chandrasekar, Moola Joghee Nanjan

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