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Electrostatic bonding

The potential impact of carboxylic-functionalized multi-walled carbon nanotubes on trypsin: A Comprehensive spectroscopic and molecular dynamics simulation study

Maryam Noordadi, Faramarz Mehrnejad, [ ... ], Bijan Ranjbar

Insight on Mutation-Induced Resistance from Molecular Dynamics Simulations of the Native and Mutated CSF-1R and KIT

Priscila Da Silva Figueiredo Celestino Gomes, Isaure Chauvot De Beauchêne, [ ... ], Luba Tchertanov

A Quantitative Measure of Electrostatic Perturbation in Holo and Apo Enzymes Induced by Structural Changes

Sandeep Chakraborty

Uncovering Molecular Bases Underlying Bone Morphogenetic Protein Receptor Inhibitor Selectivity

Abdelaziz Alsamarah, Alecander E. LaCuran, [ ... ], Yun Luo

Isomeric Mono-, Di-, and Tri-Bromobenzo-1H-Triazoles as Inhibitors of Human Protein Kinase CK2α

Romualda Wąsik, Patrycja Wińska, Jarosław Poznański, David Shugar

Molecular Basis for the Dissociation Dynamics of Protein A-Immunoglobulin G1 Complex

Fu-Feng Liu, Bo Huang, Xiao-Yan Dong, Yan Sun

The Effect of Macromolecular Crowding on the Electrostatic Component of Barnase–Barstar Binding: A Computational, Implicit Solvent-Based Study

Helena W. Qi, Priyanka Nakka, Connie Chen, Mala L. Radhakrishnan

Immobilised Histidine Tagged β₂-Adrenoceptor Oriented by a Diazonium Salt Reaction and Its Application in Exploring Drug-Protein Interaction Using Ephedrine and Pseudoephedrine as Probes

Qian Li, Liujiao Bian, [ ... ], Xiaohui Zheng

A Simple Method for Discovering Druggable, Specific Glycosaminoglycan-Protein Systems. Elucidation of Key Principles from Heparin/Heparan Sulfate-Binding Proteins

Aurijit Sarkar, Umesh R. Desai

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

Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design

Lina Irsheid, Thomas Wehler, [ ... ], Tanja Schirmeister

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

Differences in the Binding Affinities of ErbB Family: Heterogeneity in the Prediction of Resistance Mutants

Mariana Pereira, Chandra S. Verma, Gloria Fuentes

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