Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry
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Published By Wiley-VCH Verlag Gmbh & Co. Kgaa

9783527806836, 9783527342655

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Markov State Models in Drug Design

Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry ◽

10.1002/9783527806836.ch4 ◽

2018 ◽

pp. 67-86

Author(s):

Bettina G. Keller ◽

Stevan Aleksić ◽

Luca Donati

Keyword(s):

Drug Design ◽

Markov State ◽

Markov State Models ◽

State Models

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Understanding the Structure and Dynamics of Peptides and Proteins Through the Lens of Network Science

Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry ◽

10.1002/9783527806836.ch6 ◽

2018 ◽

pp. 105-161

Author(s):

Mathieu Fossépré ◽

Laurence Leherte ◽

Aatto Laaksonen ◽

Daniel P. Vercauteren

Keyword(s):

Network Science ◽

Structure And Dynamics

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Molecular Dynamics Applications to GPCR Ligand Design

Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry ◽

10.1002/9783527806836.ch9 ◽

2018 ◽

pp. 225-246

Author(s):

Andrea Bortolato ◽

Francesca Deflorian ◽

Giuseppe Deganutti ◽

Davide Sabbadin ◽

Stefano Moro ◽

...

Keyword(s):

Molecular Dynamics ◽

Ligand Design

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From Computers to Bedside: Computational Chemistry Contributing to FDA Approval

Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry ◽

10.1002/9783527806836.ch7 ◽

2018 ◽

pp. 163-203

Author(s):

Christina Athanasiou ◽

Zoe Cournia

Keyword(s):

Computational Chemistry ◽

Fda Approval

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Monte Carlo Techniques for Drug Design: The Success Case of PELE

Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry ◽

10.1002/9783527806836.ch5 ◽

2018 ◽

pp. 87-103 ◽

Cited By ~ 7

Author(s):

Joan F. Gilabert ◽

Daniel Lecina ◽

Jorge Estrada ◽

Victor Guallar

Keyword(s):

Monte Carlo ◽

Drug Design ◽

Monte Carlo Techniques

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Structure and Stability of Amyloid Protofibrils of Polyglutamine and Polyasparagine from Molecular Dynamics Simulations

Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry ◽

10.1002/9783527806836.ch12 ◽

2018 ◽

pp. 301-324

Author(s):

Viet Hoang Man ◽

Yuan Zhang ◽

Christopher Roland ◽

Celeste Sagui

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure And Stability ◽

Dynamics Simulations

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Modeling Ligand-Target Binding with Enhanced Sampling Simulations

Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry ◽

10.1002/9783527806836.ch3 ◽

2018 ◽

pp. 43-66

Author(s):

Federico Comitani ◽

Francesco L. Gervasio

Keyword(s):

Enhanced Sampling ◽

Target Binding

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Predictive Power of Biomolecular Simulations

Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry ◽

10.1002/9783527806836.ch1 ◽

2018 ◽

pp. 1-26

Author(s):

Vojtěch Spiwok

Keyword(s):

Predictive Power ◽

Biomolecular Simulations

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Ion Channel Simulations

Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry ◽

10.1002/9783527806836.ch10 ◽

2018 ◽

pp. 247-280

Author(s):

Saurabh Pandey ◽

Daniel Bonhenry ◽

Rudiger H. Ettrich

Keyword(s):

Ion Channel

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Front Matter

Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry ◽

10.1002/9783527806836.fmatter ◽

2018 ◽

pp. i-xv

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Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Wiley-VCH Verlag Gmbh & Co. Kgaa

Markov State Models in Drug Design

Understanding the Structure and Dynamics of Peptides and Proteins Through the Lens of Network Science

Molecular Dynamics Applications to GPCR Ligand Design

From Computers to Bedside: Computational Chemistry Contributing to FDA Approval

Monte Carlo Techniques for Drug Design: The Success Case of PELE

Structure and Stability of Amyloid Protofibrils of Polyglutamine and Polyasparagine from Molecular Dynamics Simulations

Modeling Ligand-Target Binding with Enhanced Sampling Simulations

Predictive Power of Biomolecular Simulations

Ion Channel Simulations

Front Matter

Biomolecular Simulations in Structure-Based Drug Discovery - Methods and Principles in Medicinal Chemistry
Latest Publications