Search Result "Binding energy"


Advances in Binding Free Energies Calculations: QM/MM-Based Free Energy Perturbation Method for Drug Design

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 26 Year: 2013 Page: 4674-4686
Author(s): R.S. Rathore,M. Sumakanth,M. Siva Reddy,P. Reddanna,Allam Appa Rao,Mark D. Erion,M.R. Reddy

Binding Free Energy Estimation for Protein-Ligand Complex Based on MM-PBSA with Various Partial Charge Models

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2293-2307
Author(s): Ting Fu,Zhong Jin,Zhilong Xiu,Guohui Li

Recent Advances in Protein−Ligand Interactions: Molecular Dynamics Simulations and Binding Free Energy

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 518-531
Author(s): Kshatresh Dutta Dubey,Rakesh Kumar Tiwari,Rajendra Prasad Ojha

Potentiation of Anti-Cancer Treatment by Modulators of Energy Metabolism

Journal: Current Pharmaceutical Biotechnology
Volume: 14 Issue: 3 Year: 2013 Page: 313-330
Author(s): Maria C. Shoshan

Drug Design for Protein Kinases and Phosphatases: Flexible-Receptor Docking, Binding Affinity and Specificity, and Drug-Binding Kinetics

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 26 Year: 2013 Page: 4739-4754
Author(s): Chung F. Wong,Sneha Bairy

Computational Studies on Enzyme-Substrate Complexes of Methanogenesis for Revealing their Substrate Binding Affinities to Direct the Reverse Reactions

Journal: Protein & Peptide Letters
Volume: 20 Issue: 3 Year: 2013 Page: 265-278
Author(s): Chellapandi P.

Binding Modes and Pharmacophoric Features of Muscarinic Antagonism and β2 Agonism (MABA) Conjugates

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1650-1655
Author(s): Srinivas Bandaru, M. Hema Prasad, A. Jyothy, Anuraj Nayarisseri, Mukesh Yadav

Energy Crops for Biofuel Feedstocks: Facts and Recent Patents on Genetic Manipulation to Improve Biofuel Crops

Journal: Recent Patents on DNA & Gene Sequences
Volume: 7 Issue: 3 Year: 2013 Page: 187-194
Author(s): Suresh Kumar

Structural Basis for Binding of Aurora-AG198N- INCENP Complex: MD Simulations and Free Energy Calculations

Journal: Protein & Peptide Letters
Volume: 20 Issue: 1 Year: 2013 Page: 1246-1256
Author(s): Karunakar Tanneeru, Lalitha Guruprasad

Investigation Binding Patterns of Human Carboxylesterase I (hCES I) with Broad Substrates by MD Simulations

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1222-1233
Author(s): Huiying Chu, Hanyi Min, Mingbo Zhang, Hujun Shen, Guohui Li

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