Research graph
References from Protein electrostatics: From computational and structural analysis to discovery of functional fingerprints and biotechnological design. Local targets link to admitted publications; unresolved targets remain external evidence.
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Buried, charged, non-ion-paired aspartic acid 76 contributes favorably to the conformational stability of ribonuclease T1
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Dynamic and Electrostatic Effects on the Reaction Catalyzed by HIV-1 Protease
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Insights on the Origin of Catalysis on Glycine N -Methyltransferase from Computational Modeling
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Calculating pH and Salt Dependence of Protein-Protein Binding
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Role of Electrostatics in Protein–RNA Binding: The Global vs the Local Energy Landscape
10.1021/acs.jpcb.7b04318 · 2017 · External reference
The key role of electrostatic interactions in the induced folding in RNA recognition by DCL1-A
10.1039/c7cp07889g · 2018 · External reference
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Darwinian biophysics: Electrostatics and evolution in the kinetics of molecular binding
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10.1038/cdd.2016.52
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10.1126/science.1129551
10.1126/science.1129551 · External reference
Membrane-binding and activation mechanism of PTEN
10.1073/pnas.0932835100 · 2003 · External reference
Pivotal Advance: Phospholipids determine net membrane surface charge resulting in differential localization of active Rac1 and Rac2
10.1189/jlb.0609390 · 2010 · External reference
10.4049/jimmunol.175.4.2381
10.4049/jimmunol.175.4.2381 · External reference
A Phosphatidylserine-binding Site in the Cytosolic Fragment of Clostridium sordellii Lethal Toxin Facilitates Glucosylation of Membrane-bound Rac and Is Required for Cytotoxicity
10.1074/jbc.m406903200 · 2004 · External reference
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10.2217/nnm.15.39
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A Photoactivatable AIE Polymer for Light-Controlled Gene Delivery: Concurrent Endo/Lysosomal Escape and DNA Unpacking
10.1002/anie.201503640 · 2015 · External reference
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Fine tuning of cell functions through remodeling of glycosphingolipids by plasma membrane-associated glycohydrolases
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10.1002/prot.1106 · External reference
10.1002/open.202000108
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On the modeling of polar component of solvation energy using smooth Gaussian-based dielectric function
10.1142/s0219633614400021 · 2014 · External reference
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10.1093/nar/gkh381
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webPIPSA: a web server for the comparison of protein interaction properties
10.1093/nar/gkn181 · 2008 · External reference
10.1016/0263-7855(90)80070-v
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10.1002/jcc.26006
10.1002/jcc.26006 · External reference
10.1093/nar/gkn314
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Web servers and services for electrostatics calculations with APBS and PDB2PQR
10.1002/jcc.21720 · 2011 · External reference
DrugOn: a fully integrated pharmacophore modeling and structure optimization toolkit
10.7717/peerj.725 · 2015 · External reference
On the use of PIPSA to guide target-selective drug design
10.1002/cmdc.200700154 · 2008 · External reference
Electrostatic Complementarity as a Fast and Effective Tool to Optimize Binding and Selectivity of Protein-Ligand Complexes
10.1021/acs.jmedchem.8b01925 · 2019 · External reference
Golyshin PN. Metagenomic Mining of Enzyme Diversity. Consequences Microb. Interact. with Hydrocarb
2016 · External reference
10.1002/anie.201708408
10.1002/anie.201708408 · External reference
Toward advanced ionic liquids. Polar, enzyme-friendly solvents for biocatalysis. Biotechnol
10.1007/s12257-009-3079-z · 2010 · External reference
10.1002/jctb.2375
10.1002/jctb.2375 · External reference
The additive mutational effects from surface charge engineering: A compromise between enzyme activity, thermostability and ionic liquid tolerance
10.1016/j.bej.2018.07.020 · 2019 · External reference
10.1016/j.jmb.2011.09.002
10.1016/j.jmb.2011.09.002 · External reference
NMR-Guided Rational Engineering of an Ionic-Liquid-Tolerant Lipase
10.1021/cs500978x · 2014 · External reference
10.1002/bit.26979
10.1002/bit.26979 · External reference
10.1021/acssuschemeng.7b01202
10.1021/acssuschemeng.7b01202 · External reference
Rational engineering of a mesohalophilic carbonic anhydrase to an extreme halotolerant biocatalyst
10.1038/ncomms10278 · 2015 · External reference
10.3390/catal10010128
10.3390/catal10010128 · External reference
10.1038/s41929-018-0109-2
10.1038/s41929-018-0109-2 · External reference
10.1002/cphc.201901155
10.1002/cphc.201901155 · External reference
Revealing the Origin of the Efficiency of the De Novo Designed Kemp Eliminase HG-3.17 by Comparison with the Former Developed HG-3
10.1002/chem.201700807 · 2017 · External reference
10.1073/pnas.1118082108
10.1073/pnas.1118082108 · External reference
10.1038/nbt1336
10.1038/nbt1336 · External reference
10.1371/journal.pone.0087099
10.1371/journal.pone.0087099 · External reference
Exploring designability of electrostatic complementarity at an antigen-antibody interface directed by mutagenesis, biophysical analysis, and molecular dynamics simulations
10.1038/s41598-019-40461-5 · 2019 · External reference
10.1016/j.ejpb.2016.01.005
10.1016/j.ejpb.2016.01.005 · External reference
Alteration of Electrostatic Surface Potential Enhances Affinity and Tumor Killing Properties of Anti-ganglioside GD2 Monoclonal Antibody hu3F8
10.1074/jbc.m115.650903 · 2015 · External reference
Improving the affinity of an antibody for its antigen via long-range electrostatic interactions
10.1093/protein/gzt053 · 2013 · External reference
10.1038/76744
10.1038/76744 · External reference
10.1074/jbc.m117.793497
10.1074/jbc.m117.793497 · External reference
Electrostatic engineering of the interface between heavy and light chains promotes antibody Fab fragment production
10.1007/s10616-016-9955-4 · 2017 · External reference
Functional Optimization of Broadly Neutralizing HIV-1 Antibody 10E8 by Promotion of Membrane Interactions
10.1128/jvi.02249-17 · 2018 · External reference
10.1146/annurev-immunol-042617-053327
10.1146/annurev-immunol-042617-053327 · External reference
Computational affinity maturation of camelid single-domain intrabodies against the nonamyloid component of alpha-synuclein
10.1038/s41598-018-35464-7 · 2018 · External reference
10.3390/ijms20174187
10.3390/ijms20174187 · External reference
Unravelling the Molecular Basis of High Affinity Nanobodies against HIV p24. In Vitro Functional, Structural, and in Silico Insights. ACS
2017 · External reference
Electrostatic effects in macromolecules: Fundamental concepts and practical modeling
10.1016/s0959-440x(98)80041-9 · 1998 · External reference
10.1016/j.bbapap.2006.08.007
10.1016/j.bbapap.2006.08.007 · External reference
10.1002/prot.24753
10.1002/prot.24753 · External reference
Electrostatic recognition in substrate binding to serine proteases
10.1002/jmr.2727 · 2018 · External reference
Practical high-quality electrostatic potential surfaces for drug discovery using a graph-convolutional deep neural network
2019 · External reference
10.1002/3527607676.ch1
10.1002/3527607676.ch1 · External reference
10.1016/j.drup.2017.11.002
10.1016/j.drup.2017.11.002 · External reference
Unresolved reference
External reference
VNRX-5133 (Taniborbactam), a broad-spectrum inhibitor of serine- and metallo-β-lactamases, restores activity of cefepime in Enterobacterales and Pseudomonas aeruginosa
2019 · External reference
Structural basis of metallo-β-lactamase, serine-β-lactamase and penicillin-binding protein inhibition by cyclic boronates
10.1038/ncomms12406 · 2016 · External reference
X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid β-Lactamase Inhibitors
10.1021/acsmedchemlett.8b00607 · 2019 · External reference
Ten Years with New Delhi Metallo-β-lactamase-1 (NDM-1): From Structural Insights to Inhibitor Design
10.1021/acsinfecdis.8b00247 · 2019 · External reference
10.1016/j.smim.2017.10.001
10.1016/j.smim.2017.10.001 · External reference
The nanoparticle protein corona formed in human blood or human blood fractions
10.1371/journal.pone.0175871 · 2017 · External reference
The Crown and the Scepter: Roles of the Protein Corona in Nanomedicine
10.1002/adma.201805740 · 2019 · External reference
10.1038/nmat2442
10.1038/nmat2442 · External reference
Understanding the Chemical Nature of Nanoparticle-Protein Interactions
10.1021/acs.bioconjchem.9b00348 · 2019 · External reference
Preferential binding of positive nanoparticles on cell membranes is due to electrostatic interactions: A too simplistic explanation that does not take into account the nanoparticle protein corona
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10.1016/j.biomaterials.2010.06.051
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10.1016/j.biomaterials.2018.05.028 · External reference
10.1016/j.biomaterials.2016.05.004
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Molecular dynamics simulations of adsorption and desorption of bone morphogenetic protein-2 on textured hydroxyapatite surfaces
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10.1016/j.tim.2014.12.002
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Epidemiology, Evolution, and Recent Outbreaks of Avian Influenza Virus in China
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The Role of Influenza A Virus Hemagglutinin Residues 226 and 228 in Receptor Specificity and Host Range Restriction
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10.1016/j.virol.2005.08.035
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Comparative structural analysis of haemagglutinin proteins from type A influenza viruses: conserved and variable features
10.1186/s12859-014-0363-5 · 2014 · External reference
Electrostatic Variation of Haemagglutinin as a Hallmark of the Evolution of Avian Influenza Viruses
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Pandemic Avian Influenza and Intra/Interhaemagglutinin Subtype Electrostatic Variation among Viruses Isolated from Avian, Mammalian, and Human Hosts
10.1155/2018/3870508 · 2018 · External reference
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10.1016/j.virol.2017.10.010 · External reference
Unresolved reference
External reference
10.1038/nsmb.3213
10.1038/nsmb.3213 · External reference
Influenza virus Matrix Protein M1 preserves its conformation with pH, changing multimerization state at the priming stage due to electrostatics
10.1038/s41598-017-16986-y · 2017 · External reference
P20A inhibits HIV-1 fusion through its electrostatic interaction with the distal region of the gp41 fusion core
10.1016/j.micinf.2015.05.003 · 2015 · External reference
Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme-substrate complex: Influenza neuraminidase inhibition
10.1107/s0907444909009433 · 2009 · External reference