Saturation Mutagenesis by Efficient Free-Energy Calculation.

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Implicit ligand theory for relative binding free energies.

P2860

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P2860

Saturation Mutagenesis by Efficient Free-Energy Calculation.

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2017 nî lūn-bûn

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2017年学术文章

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Saturation Mutagenesis by Efficient Free-Energy Calculation.

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Saturation Mutagenesis by Efficient Free-Energy Calculation.

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Saturation Mutagenesis by Efficient Free-Energy Calculation.

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Saturation Mutagenesis by Efficient Free-Energy Calculation.

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Saturation Mutagenesis by Efficient Free-Energy Calculation.

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Saturation Mutagenesis by Efficient Free-Energy Calculation.

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P1476

Saturation Mutagenesis by Efficient Free-Energy Calculation.

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P2093

Daniel Fast

http://www.w3.org/2001/XMLSchema#string

Maria Pechlaner

http://www.w3.org/2001/XMLSchema#string

Martina Setz

http://www.w3.org/2001/XMLSchema#string

Zuzana Jandova

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P2860

Insights into Protein-Ligand Interactions: Mechanisms, Models, and Methods

Calculations of electrostatic interactions in biological systems and in solutions

Classical electrostatics in biology and chemistry

Anatomy of hot spots in protein interfaces

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

Exploring protein native states and large-scale conformational changes with a modified generalized born model

Excess positional mutual information predicts both local and allosteric mutations affecting beta lactamase drug resistance.

pmx: Automated protein structure and topology generation for alchemical perturbations.

Alchemical free energy methods for drug discovery: progress and challenges

Testing of the GROMOS Force-Field Parameter Set 54A8: Structural Properties of Electrolyte Solutions, Lipid Bilayers, and Proteins

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894-904

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scholarly article

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10.1021/ACS.JCTC.7B01099

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http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

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Chris Oostenbrink

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2017-12-20T00:00:00Z

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29262673

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P932

5813279

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Saturation Mutagenesis by Efficient Free-Energy Calculation.

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P2860

P2860

Saturation Mutagenesis by Efficient Free-Energy Calculation.

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P1476

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P2860

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P932

P356

P1433

P1476

P2093

P2860

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P31

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P478

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P577

P698

P932