Annual Reports in Computational Chemistry
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20

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6

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Preface

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(10)06018-4 ◽

2010 ◽

pp. xiii

Author(s):

Ralph A. Wheeler

Theoretical Calculations of Acid Dissociation Constants: A Review Article

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(10)06008-1 ◽

2010 ◽

pp. 113-138 ◽

Cited By ~ 110

Author(s):

Kristin S. Alongi ◽

George C. Shields

Keyword(s):

Dissociation Constants ◽

Theoretical Calculations ◽

Review Article ◽

Acid Dissociation ◽

Acid Dissociation Constants

Advancements in Molecular Dynamics Simulations of Biomolecules on Graphical Processing Units

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(10)06001-9 ◽

2010 ◽

pp. 2-19 ◽

Cited By ~ 15

Author(s):

Dong Xu ◽

Mark J. Williamson ◽

Ross C. Walker

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Graphical Processing Units ◽

Graphical Processing ◽

Dynamics Simulations

Antibiotics Targeting the Ribosome: Structure-Based Design and the Nobel Prize

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(10)06009-3 ◽

2010 ◽

pp. 139-166 ◽

Cited By ~ 3

Author(s):

Edward C. Sherer

Keyword(s):

Nobel Prize ◽

Ribosome Structure

Insights into the Role of Conformational Transitions and Metal Ion Binding in RNA Catalysis from Molecular Simulations

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(10)06010-x ◽

2010 ◽

pp. 168-200 ◽

Cited By ~ 1

Author(s):

Tai-Sung Lee ◽

George M. Giambaşu ◽

Darrin M. York

Keyword(s):

Metal Ion ◽

Molecular Simulations ◽

Conformational Transitions ◽

Ion Binding ◽

Rna Catalysis ◽

Metal Ion Binding

Subject Index

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(10)06019-6 ◽

2010 ◽

pp. 297-311

Folding of Conjugated Proteins

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(10)06013-5 ◽

2010 ◽

pp. 263-277 ◽

Cited By ~ 3

Author(s):

Dalit Shental-Bechor ◽

Oshrit Arviv ◽

Tzachi Hagai ◽

Yaakov Levy

Computing Free-Energy Profiles Using Multidimensional Potentials of Mean Force and Polynomial Quadrature Methods

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(10)06003-2 ◽

2010 ◽

pp. 37-49 ◽

Cited By ~ 5

Author(s):

Jonah Z. Vilseck ◽

Orlando Acevedo

Keyword(s):

Free Energy ◽

Energy Profiles ◽

Quadrature Methods ◽

Potentials Of Mean Force ◽

Free Energy Profiles

QM/MM Alchemical Free Energy Simulations: Challenges and Recent Developments

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(10)06004-4 ◽

2010 ◽

pp. 51-62 ◽

Cited By ~ 15

Author(s):

Wei Yang ◽

Qiang Cui ◽

Donghong Min ◽

Hongzhi Li

Keyword(s):

Free Energy ◽

Recent Developments ◽

Energy Simulations ◽

Alchemical Free Energy

Ab Initio Electron Propagator Methods: Applications to Fullerenes and Nucleic Acid Fragments

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(10)06006-8 ◽

2010 ◽

pp. 79-94 ◽

Cited By ~ 18

Author(s):

Viatcheslav G. Zakrzewski ◽

Olga Dolgounitcheva ◽

Alexander V. Zakjevskii ◽

J.V. Ortiz

Keyword(s):

Nucleic Acid ◽

Ab Initio ◽

Electron Propagator