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Water properties inside nanoscopic hydrophobic pocket studied by computer simulations

The Journal of chemical physics, 2006-10, Vol.125 (14), p.144717-144717

2006

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Water properties inside nanoscopic hydrophobic pocket studiedby computer simulations

The Journal of chemical physics, 2006-10, Vol.125 (14), p.144717-144717-10

2006

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Refinement of X-ray data on dual cosubstrate specificity of CK2 kinase by free energy calculations based on molecular dynamics simulation

Proteins, structure, function, and bioinformatics, 2005-02, Vol.58 (3), p.511-517

2005

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Molecular Dynamics Simulations of the First Steps of the Reaction Catalyzed by HIV-1 Protease

Biophysical journal, 2002-08, Vol.83 (2), p.794-807

2002

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Thermodynamic linkage between the binding of protons and inhibitors to HIV-1 protease

Protein science, 1999-01, Vol.8 (1), p.180-195

1999

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Parameterization of the approximate valence bond (AVB) method to describe potential energy surface in the reaction catalyzed by HIV-1 protease

International journal of quantum chemistry, 2001, Vol.82 (2), p.86-103

2001

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Inteligencja a Marzec. Rozmowa

Kwartalnik historii żydów, 2008, Vol.228 (4), p.459-475

2008

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Analysis of the structure of HIV-1 protease complexed with a hexapeptide inhibitor. Part II: Molecular dynamic studies of the active site region

Proteins, structure, function, and bioinformatics, 1997-02, Vol.27 (2), p.195-203

1997

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Analysis of the structure of chemically synthesized HIV-1 protease complexed with a hexapeptide inhibitor. Part I: Crystallographic refinement of 2 Å data

Proteins, structure, function, and bioinformatics, 1997-02, Vol.27 (2), p.184-195

1997

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Solvation of the tautomeric forms of 2-oxopyrimidine in chloroform solution: a Monte Carlo simulation

Journal of molecular structure. Theochem, 1989-02, Vol.184 (3), p.221-230

1989

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Solvation of the tautomeric forms of 2-oxopyrimidine in carbon tetrachloride solution: A Monte Carlo simulation

Journal of molecular structure. Theochem, 1985, Vol.124 (3), p.249-259

1985

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Simulations of Dynamical Properties of a Michaelis Complex: Porcine Pancreatic Elastase and the Hexapeptide, Thr-Pro-nVal-Leu-Tyr-Thr

Journal of biomolecular structure & dynamics, 1990-04, Vol.7 (5), p.1043-1052

1990

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Hydration of the tautomeric forms of 2-oxopyrimidine

Journal of molecular structure. Theochem, 1985-03, Vol.121, p.247-258

1985

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Hydration of the tautomeric forms of 2-oxopyrimidine

Journal of molecular structure. Theochem, 1985-03, Vol.22 (1-5), p.247-258

1985

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Hydration of the tautomeric forms of 2-oxopyrimidine: A Monte Carlo simulation

Journal of molecular structure. Theochem, 1985, Vol.121, p.247-258

1985

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283 - Electroreduction mechanism of 2-thiopyrimidine derivatives: Part II. Correlation with electronic structure indices

Bioelectrochemistry and Bioenergetics, 1979, Vol.6 (2), p.263-271

1979

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283 - Electroreduction mechanism of 2-thiopyrimidine derivatives

Bioelectrochemistry and Bioenergetics, 1979-06, Vol.6 (2), p.263-271

1979

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Electroreduction mechanism of 2-thiopyrimidine derivatives

Journal of electroanalytical chemistry and interfacial electrochemistry, 1979, Vol.104, p.263-271

1979

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Dynamic properties of the first enzymatic reaction steps of porcine pancreatic elastase. How rigid is the active site of the native enzyme? Molecular dynamics simulation

Biopolymers, 1990, Vol.30 (7-8), p.781-796

1990

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Hydration of the tautomeric forms of 2-oxopyrimidine: A Monte Carlo simulation

Journal of molecular structure. Theochem, 1985, Vol.22 (1), p.247-258

1985

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Animation: a useful tool for protein molecular dynamicists, applied to hydrogen bonds in the active site of elastase

Journal of molecular graphics, 1989-12, Vol.7 (4), p.240-242

1989

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2021 ESC Guidelines on cardiac pacing and cardiac resynchronization therapy

European heart journal, 2021-09, Vol.42 (35), p.3427-3520

2021

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Fusing remote sensing with sparse demographic data for synthetic population generation: an algorithm and application to rural Afghanistan

International journal of geographical information science : IJGIS, 2013-05, Vol.27 (5), p.986-1004

2013

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Verification through calibration: An approach and a case study of a model of conflict in Syria

2013 Winter Simulations Conference (WSC), 2013, p.1649-1660

2013

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Verification through calibration: an approach and a case study of a model of conflict in Syria

Proceedings of the 2013 Winter Simulation Conference: Simulation: Making Decisions in a Complex World, 2013, p.1649-1660

2013

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Water properties inside nanoscopic hydrophobic pocket studied by computer simulations

Water properties inside nanoscopic hydrophobic pocket studiedby computer simulations

Refinement of X-ray data on dual cosubstrate specificity of CK2 kinase by free energy calculations based on molecular dynamics simulation

Molecular Dynamics Simulations of the First Steps of the Reaction Catalyzed by HIV-1 Protease

Thermodynamic linkage between the binding of protons and inhibitors to HIV-1 protease

Parameterization of the approximate valence bond (AVB) method to describe potential energy surface in the reaction catalyzed by HIV-1 protease

Inteligencja a Marzec. Rozmowa

Analysis of the structure of HIV-1 protease complexed with a hexapeptide inhibitor. Part II: Molecular dynamic studies of the active site region

Analysis of the structure of chemically synthesized HIV-1 protease complexed with a hexapeptide inhibitor. Part I: Crystallographic refinement of 2 Å data

Solvation of the tautomeric forms of 2-oxopyrimidine in chloroform solution: a Monte Carlo simulation

Solvation of the tautomeric forms of 2-oxopyrimidine in carbon tetrachloride solution: A Monte Carlo simulation

Simulations of Dynamical Properties of a Michaelis Complex: Porcine Pancreatic Elastase and the Hexapeptide, Thr-Pro-nVal-Leu-Tyr-Thr

Hydration of the tautomeric forms of 2-oxopyrimidine

Hydration of the tautomeric forms of 2-oxopyrimidine

Hydration of the tautomeric forms of 2-oxopyrimidine: A Monte Carlo simulation

283 - Electroreduction mechanism of 2-thiopyrimidine derivatives: Part II. Correlation with electronic structure indices

283 - Electroreduction mechanism of 2-thiopyrimidine derivatives

Electroreduction mechanism of 2-thiopyrimidine derivatives

Dynamic properties of the first enzymatic reaction steps of porcine pancreatic elastase. How rigid is the active site of the native enzyme? Molecular dynamics simulation

Hydration of the tautomeric forms of 2-oxopyrimidine: A Monte Carlo simulation

Animation: a useful tool for protein molecular dynamicists, applied to hydrogen bonds in the active site of elastase

2021 ESC Guidelines on cardiac pacing and cardiac resynchronization therapy

Fusing remote sensing with sparse demographic data for synthetic population generation: an algorithm and application to rural Afghanistan

Verification through calibration: An approach and a case study of a model of conflict in Syria

Verification through calibration: an approach and a case study of a model of conflict in Syria

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