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Electrostatics

Modification, Biological Evaluation and 3D QSAR Studies of Novel 2-(1,3-Diaryl- 4,5-Dihydro-1H-Pyrazol-5-yl)Phenol Derivatives as Inhibitors of B-Raf Kinase

Yu-Shun Yang, Fei Zhang, [ ... ], Hai-Liang Zhu

Lac Repressor Mediated DNA Looping: Monte Carlo Simulation of Constrained DNA Molecules Complemented with Current Experimental Results

Yoav Y. Biton, Sandip Kumar, David Dunlap, David Swigon

Salt-Bridge Energetics in Halophilic Proteins

Arnab Nayek, Parth Sarthi Sen Gupta, [ ... ], Amal K. Bandyopadhyay

The Interaction of CRM1 and the Nuclear Pore Protein Tpr

Charles L. Zhao, Seyed Hanif Mahboobi, Ruhollah Moussavi-Baygi, Mohammad R. K. Mofrad

Insight into the Interactions between Novel Isoquinolin-1,3-Dione Derivatives and Cyclin-Dependent Kinase 4 Combining QSAR and Molecular Docking

Junxia Zheng, Hao Kong, [ ... ], Pinghua Sun

Structural and Biochemical Analysis of a Unique Phosphatase from Bdellovibrio bacteriovorus Reveals Its Structural and Functional Relationship with the Protein Tyrosine Phosphatase Class of Phytase

Robert J. Gruninger, John Thibault, [ ... ], Andrew L. Lovering

In Silico Analysis Reveals Sequential Interactions and Protein Conformational Changes during the Binding of Chemokine CXCL-8 to Its Receptor CXCR1

Je-Wen Liou, Fang-Tzu Chang, [ ... ], Hao-Jen Hsu

Cyclotide Structure–Activity Relationships: Qualitative and Quantitative Approaches Linking Cytotoxic and Anthelmintic Activity to the Clustering of Physicochemical Forces

Sungkyu Park, Adam A. Strömstedt, Ulf Göransson

Cationic Peptide Exposure Enhances Pulsed-Electric-Field-Mediated Membrane Disruption

Stephen M. Kennedy, Erik J. Aiken, [ ... ], William L. Murphy

Model of a DNA-Protein Complex of the Architectural Monomeric Protein MC1 from Euryarchaea

Françoise Paquet, Olivier Delalande, [ ... ], Celine Landon

Role of Molecular Charge in Nucleocytoplasmic Transport

Alexander Goryaynov, Weidong Yang

Development of a Human Dihydroorotate Dehydrogenase (hDHODH) Pharma-Similarity Index Approach with Scaffold-Hopping Strategy for the Design of Novel Potential Inhibitors

Kuei-Chung Shih, Chi-Ching Lee, [ ... ], Chuan-Yi Tang

Processive Pectin Methylesterases: The Role of Electrostatic Potential, Breathing Motions and Bond Cleavage in the Rectification of Brownian Motions

Davide Mercadante, Laurence D. Melton, Geoffrey B. Jameson, Martin A. K. Williams

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