Decomposing protein–DNA binding and recognition using simplified protein models
نویسندگان
چکیده
منابع مشابه
Decomposing protein–DNA binding and recognition using simplified protein models
We analyze the role of different physicochemical factors in protein/DNA binding and recognition by comparing the results from all-atom molecular dynamics simulations with simulations using simplified protein models. These models enable us to separate the role of specific amino acid side chains, formal amino acid charges and hydrogen bonding from the effects of the low-dielectric volume occupied...
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v CHAPTER 1 : GENERAL INTRODUCTION 1 Thesis Organization 5 References 9 CHAPTER 2: DISTINCTIONS MADE IN THE PROTEIN RECOGNITION OF CARBOHYDRATES 14 Abstract 14 Introduction 15 Discussion 19 Conclusion 24 References 26 CHAPTER 3: SPECIFIC EMPIRICAL FREE ENERGY FUNCTION FOR AUTOMATED DOCKING OF CARBOHYDRATES TO PROTEINS 34 Abstract 34 Introduction 35 Methods 37 Results and Discussion 42 Conclusio...
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ژورنال
عنوان ژورنال: Nucleic Acids Research
سال: 2017
ISSN: 0305-1048,1362-4962
DOI: 10.1093/nar/gkx627