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Structural characterisation of inhibitory and non-inhibitory MMP-9–TIMP-1 complexes and implications for regulatory mechanisms of MMP-9

Scientific reports, 2021-06, Vol.11 (1), p.13376-12, Article 13376

2021

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Cinnamic Acid Derivatives as Inhibitors of Oncogenic Protein Kinases--Structure, Mechanisms and Biomedical Effects

Current medicinal chemistry, 2016-03, Vol.23 (10), p.954

2016

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A novel method to compare protein structures using local descriptors

BMC bioinformatics, 2011-08, Vol.12 (1), p.344-344, Article 344

2011

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Generalized Born Model: Analysis, Refinement, and Applications to Proteins

The journal of physical chemistry. B, 2004-11, Vol.108 (47), p.18368-18376

2004

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Car−Parrinello Molecular Dynamics Study of the Intramolecular Vibrational Mode-Sensitive Double Proton-Transfer Mechanisms in Porphycene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-02, Vol.114 (6), p.2313-2318

2010

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Exploring Covalent Docking Mechanisms of Boron-Based Inhibitors to Class A, C and D β-Lactamases Using Time-dependent Hybrid QM/MM Simulations

Frontiers in molecular biosciences, 2021-08, Vol.8, p.633181-633181

2021

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Efficacy of 2-halogen substituted D-glucose analogs in blocking glycolysis and killing hypoxic tumor cells

Cancer chemotherapy and pharmacology, 2006-12, Vol.58 (6), p.725-734

2006

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DAMA: a method for computing multiple alignments of protein structures using local structure descriptors

Bioinformatics, 2021-12, Vol.38 (1), p.80-85

2021

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Analogs of cinnamic acid benzyl amide as nonclassical inhibitors of activated JAK2 kinase

Current cancer drug targets, 2014-01, Vol.14 (7), p.638

2014

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Class IV Charge Model for the Self-Consistent Charge Density-Functional Tight-Binding Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-04, Vol.108 (13), p.2545-2549

2004

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Short history of conference "Inhibitors of Protein Kinases"

Postępy biochemii, 2015, Vol.61 (3), p.241

Lesyng, Bogdan

2015

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Toward the identification of molecular cogs

Journal of computational chemistry, 2016-04, Vol.37 (9), p.848-860

2016

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Implementation of a maximum clique search procedure on CUDA

Journal of heuristics, 2019-04, Vol.25 (2), p.247-271

2019

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A novel formulation of an approximate valence bond model (AVB2) and its application to the tautomeric forms of porphyrin and porphycene

Journal of molecular modeling, 2019-06, Vol.25 (6), p.155-14, Article 155

2019

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Inferring Molecular Processes Heterogeneity from Transcriptional Data

BioMed research international, 2017-01, Vol.2017, p.6961786-14

2017

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ResiCon: a method for the identification of dynamic domains, hinges and interfacial regions in proteins

Bioinformatics, 2016-01, Vol.32 (1), p.25-34

2016

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Synthesis, structural and antimicrobial studies of type II topoisomerase-targeted copper(II) complexes of 1,3-disubstituted thiourea ligands

Journal of inorganic biochemistry, 2018-05, Vol.182, p.61-70

2018

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Estimation of Posturographic Trajectory Using k-Nearest Neighbors Classifier in Patients with Rheumatoid Arthritis and Osteoarthritis

Advances in experimental medicine and biology, 2018-01, Vol.1070, p.85-95

2018

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Vibrations and hydrogen bonding in porphycene

Physical chemistry chemical physics : PCCP, 2012-04, Vol.14 (16), p.5489-5503

2012

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Thermal Fluctuations and Infrared Spectra of the Formamide–Formamidine Complex

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-10, Vol.116 (42), p.10412-10419

2012

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Surface markers of cancer stem-like cells of ovarian cancer and their clinical relevance

Contemporary oncology (Poznań, Poland), 2018-03, Vol.22 (1A), p.48-55

2018

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WeBIAS: a web server for publishing bioinformatics applications

BMC research notes, 2015-11, Vol.8 (633), p.628-628, Article 628

2015

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Implementation of a symplectic multiple-time-step molecular dynamics algorithm, based on the united-residue mesoscopic potential energy function

The Journal of chemical physics, 2006-11, Vol.125 (20), p.204107-204107-10

2006

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Hydration free energy of a Model Lennard-Jones solute particle: Microscopic Monte Carlo simulation studies, and interpretationbased on mesoscopic models

The Journal of chemical physics, 2008-02, Vol.128 (6), p.064503-064503-13

2008

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Development of novel molecular probes of the Rio1 atypical protein kinase

Biochimica et biophysica acta, 2013-07, Vol.1834 (7), p.1292-1301

2013

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Structural characterisation of inhibitory and non-inhibitory MMP-9–TIMP-1 complexes and implications for regulatory mechanisms of MMP-9

Cinnamic Acid Derivatives as Inhibitors of Oncogenic Protein Kinases--Structure, Mechanisms and Biomedical Effects

A novel method to compare protein structures using local descriptors

Generalized Born Model: Analysis, Refinement, and Applications to Proteins

Car−Parrinello Molecular Dynamics Study of the Intramolecular Vibrational Mode-Sensitive Double Proton-Transfer Mechanisms in Porphycene

Exploring Covalent Docking Mechanisms of Boron-Based Inhibitors to Class A, C and D β-Lactamases Using Time-dependent Hybrid QM/MM Simulations

Efficacy of 2-halogen substituted D-glucose analogs in blocking glycolysis and killing hypoxic tumor cells

DAMA: a method for computing multiple alignments of protein structures using local structure descriptors

Analogs of cinnamic acid benzyl amide as nonclassical inhibitors of activated JAK2 kinase

Class IV Charge Model for the Self-Consistent Charge Density-Functional Tight-Binding Method

Short history of conference "Inhibitors of Protein Kinases"

Toward the identification of molecular cogs

Implementation of a maximum clique search procedure on CUDA

A novel formulation of an approximate valence bond model (AVB2) and its application to the tautomeric forms of porphyrin and porphycene

Inferring Molecular Processes Heterogeneity from Transcriptional Data

ResiCon: a method for the identification of dynamic domains, hinges and interfacial regions in proteins

Synthesis, structural and antimicrobial studies of type II topoisomerase-targeted copper(II) complexes of 1,3-disubstituted thiourea ligands

Estimation of Posturographic Trajectory Using k-Nearest Neighbors Classifier in Patients with Rheumatoid Arthritis and Osteoarthritis

Vibrations and hydrogen bonding in porphycene

Thermal Fluctuations and Infrared Spectra of the Formamide–Formamidine Complex

Surface markers of cancer stem-like cells of ovarian cancer and their clinical relevance

WeBIAS: a web server for publishing bioinformatics applications

Implementation of a symplectic multiple-time-step molecular dynamics algorithm, based on the united-residue mesoscopic potential energy function

Hydration free energy of a Model Lennard-Jones solute particle: Microscopic Monte Carlo simulation studies, and interpretationbased on mesoscopic models

Development of novel molecular probes of the Rio1 atypical protein kinase

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