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A Note on the Standard State’s Binding Free Energy

Journal of chemical theory and computation, 2010-08, Vol.6 (8), p.2520-2524

General, Ignacio J

2010

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Mechanisms of CFTR functional variants that impair regulated bicarbonate permeation and increase risk for pancreatitis but not for cystic fibrosis

PLoS genetics, 2014-07, Vol.10 (7), p.e1004376-e1004376

2014

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Convergence and equilibrium in molecular dynamics simulations

Communications chemistry, 2024-02, Vol.7 (1), p.26-26, Article 26

2024

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ATPase subdomain IA is a mediator of interdomain allostery in Hsp70 molecular chaperones

PLoS computational biology, 2014-05, Vol.10 (5), p.e1003624-e1003624

2014

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NADPH oxidase 2 activity disrupts Calmodulin/CaMKIIα complex via redox modifications of CaMKIIα-contained Cys30 and Cys289: Implications in Parkinson's disease

Redox biology, 2024-09, Vol.75, p.103254, Article 103254

2024

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Frequent mutation of receptor protein tyrosine phosphatases provides a mechanism for STAT3 hyperactivation in head and neck cancer

Proceedings of the National Academy of Sciences - PNAS, 2014-01, Vol.111 (3), p.1114-1119

2014

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Absolute Free Energy of Binding of Avidin/Biotin, Revisited

The journal of physical chemistry. B, 2012-06, Vol.116 (23), p.6628-6636

2012

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PL1 Peptide Engages Acidic Surfaces on Tumor-Associated Fibronectin and Tenascin Isoforms to Trigger Cellular Uptake

Pharmaceutics, 2021-11, Vol.13 (12), p.1998

2021

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New Method for Calculating the Absolute Free Energy of Binding: The Effect of a Mobile Loop on the Avidin/Biotin Complex

The journal of physical chemistry. B, 2011-01, Vol.115 (1), p.168-175

2011

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Population reversal driven by unrestrained interactions in molecular dynamics simulations: A dialanine model

AIP advances, 2015-10, Vol.5 (10), p.107235-107235-8

2015

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Phosphate uptake in PhoX: Molecular mechanisms

International journal of biological macromolecules, 2024-06, Vol.269 (Pt 1), p.131993-131993, Article 131993

2024

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Dynamic Modulation of Binding Affinity as a Mechanism for Regulating Interferon Signaling

Journal of molecular biology, 2017-08, Vol.429 (16), p.2571-2589

2017

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Physical interactions driving the activation/inhibition of calcium/calmodulin dependent protein kinase II

Journal of molecular graphics & modelling, 2021-06, Vol.105, p.107875-107875, Article 107875

2021

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Mechanisms of Activation and Subunit Release in Ca2+/Calmodulin-Dependent Protein Kinase II

The journal of physical chemistry. B, 2017-11, Vol.121 (45), p.10344-10352

2017

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Mechanisms of Activation and Subunit Release in Ca 2+ /Calmodulin-Dependent Protein Kinase II

The journal of physical chemistry. B, 2017-11, Vol.121 (45), p.10344-10352

2017

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Principle of maximum caliber and quantum physics

Physical review. E, 2018-07, Vol.98 (1-1), p.012110-012110, Article 012110

General, Ignacio J

2018

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Protein tyrosine phosphatase 1B targets focal adhesion kinase and paxillin in cell–matrix adhesions

Journal of cell science, 2021-10, Vol.134 (20)

2021

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Absolute Free Energy of Binding and Entropy of the FKBP12-FK506 Complex: Effects of the Force Field

Journal of chemical theory and computation, 2013-10, Vol.9 (10), p.4609-4619

2013

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Structure and Dynamics Study of LeuT Using the Markov State Model and Perturbation Response Scanning Reveals Distinct Ion Induced Conformational States

The journal of physical chemistry. B, 2016-08, Vol.120 (33), p.8361-8368

2016

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Calculation of the Absolute Free Energy of Binding and Related Entropies with the HSMD-TI Method: The FKBP12-L8 Complex

Journal of chemical theory and computation, 2011-12, Vol.7 (12), p.4196-4207

2011

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Relative stability of the open and closed conformations of the active site loop of streptavidin

The Journal of chemical physics, 2011-01, Vol.134 (2), p.025104-025104-17

2011

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Structure and dynamics of Penetratin’s association and translocation to a lipid bilayer

AIP advances, 2017-03, Vol.7 (3), p.035008-035008-11

2017

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Sodium Perchlorate Effects on the Helical Stability of a Mainly Alanine Peptide

Biophysical journal, 2010-01, Vol.98 (2), p.186-196

2010

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Structure of Aqueous Sodium Perchlorate Solutions

The journal of physical chemistry. B, 2008-12, Vol.112 (48), p.15417-15425

2008

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Light 1 − + exotics: Molecular resonances

Physics letters. B, 2007-09, Vol.653 (2), p.216-223

2007

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A Note on the Standard State’s Binding Free Energy

Mechanisms of CFTR functional variants that impair regulated bicarbonate permeation and increase risk for pancreatitis but not for cystic fibrosis

Convergence and equilibrium in molecular dynamics simulations

ATPase subdomain IA is a mediator of interdomain allostery in Hsp70 molecular chaperones

NADPH oxidase 2 activity disrupts Calmodulin/CaMKIIα complex via redox modifications of CaMKIIα-contained Cys30 and Cys289: Implications in Parkinson's disease

Frequent mutation of receptor protein tyrosine phosphatases provides a mechanism for STAT3 hyperactivation in head and neck cancer

Absolute Free Energy of Binding of Avidin/Biotin, Revisited

PL1 Peptide Engages Acidic Surfaces on Tumor-Associated Fibronectin and Tenascin Isoforms to Trigger Cellular Uptake

New Method for Calculating the Absolute Free Energy of Binding: The Effect of a Mobile Loop on the Avidin/Biotin Complex

Population reversal driven by unrestrained interactions in molecular dynamics simulations: A dialanine model

Phosphate uptake in PhoX: Molecular mechanisms

Dynamic Modulation of Binding Affinity as a Mechanism for Regulating Interferon Signaling

Physical interactions driving the activation/inhibition of calcium/calmodulin dependent protein kinase II

Mechanisms of Activation and Subunit Release in Ca2+/Calmodulin-Dependent Protein Kinase II

Mechanisms of Activation and Subunit Release in Ca 2+ /Calmodulin-Dependent Protein Kinase II

Principle of maximum caliber and quantum physics

Protein tyrosine phosphatase 1B targets focal adhesion kinase and paxillin in cell–matrix adhesions

Absolute Free Energy of Binding and Entropy of the FKBP12-FK506 Complex: Effects of the Force Field

Structure and Dynamics Study of LeuT Using the Markov State Model and Perturbation Response Scanning Reveals Distinct Ion Induced Conformational States

Calculation of the Absolute Free Energy of Binding and Related Entropies with the HSMD-TI Method: The FKBP12-L8 Complex

Relative stability of the open and closed conformations of the active site loop of streptavidin

Structure and dynamics of Penetratin’s association and translocation to a lipid bilayer

Sodium Perchlorate Effects on the Helical Stability of a Mainly Alanine Peptide

Structure of Aqueous Sodium Perchlorate Solutions

Light 1 − + exotics: Molecular resonances

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