Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine

(How to) Profit from Molecular Dynamics-based Ensemble Docking

Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine ◽

10.1007/978-94-017-9257-8_15 ◽

2014 ◽

pp. 501-538 ◽

Cited By ~ 1

Author(s):

Susanne von Grafenstein ◽

Julian E. Fuchs ◽

Klaus R. Liedl

Keyword(s):

Molecular Dynamics ◽

Ensemble Docking

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Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment

Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine ◽

10.1007/978-94-017-9257-8_2 ◽

2014 ◽

pp. 21-57 ◽

Cited By ~ 3

Author(s):

Maxim P. Evstigneev ◽

Anna V. Shestopalova

Keyword(s):

Computer Modeling ◽

Dna Interactions

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Density Functional Theory Calculations of Enzyme–Inhibitor Interactions in Medicinal Chemistry and Drug Design

Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine ◽

10.1007/978-94-017-9257-8_7 ◽

2014 ◽

pp. 207-240 ◽

Cited By ~ 2

Author(s):

Alexander B. Rozhenko

Keyword(s):

Density Functional Theory ◽

Drug Design ◽

Density Functional ◽

Medicinal Chemistry ◽

Enzyme Inhibitor ◽

Density Functional Theory Calculations ◽

Functional Theory

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DNA Dependent DNA Polymerases as Targets for Low-Weight Molecular Inhibitors: State of Art and Prospects of Rational Design

Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine ◽

10.1007/978-94-017-9257-8_4 ◽

2014 ◽

pp. 95-135

Author(s):

Alexey Yu. Nyporko

Keyword(s):

Rational Design ◽

Dna Polymerases ◽

Low Weight ◽

State Of Art

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Cheminformatics: At the Crossroad of Eras

Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine ◽

10.1007/978-94-017-9257-8_16 ◽

2014 ◽

pp. 539-546 ◽

Cited By ~ 4

Author(s):

Denis Fourches

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Molecular Structures, Relative Stability, and Proton Affinities of Nucleotides: Broad View and Novel Findings

Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine ◽

10.1007/978-94-017-9257-8_5 ◽

2014 ◽

pp. 137-180

Author(s):

Tetiana A. Zubatiuk ◽

Gennady V. Palamarchuk ◽

Oleg V. Shishkin ◽

Leonid Gorb ◽

Jerzy Leszczynski

Keyword(s):

Relative Stability ◽

Molecular Structures ◽

Proton Affinities ◽

Broad View

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Continuous Molecular Fields Approach Applied to Structure-Activity Modeling

Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine ◽

10.1007/978-94-017-9257-8_13 ◽

2014 ◽

pp. 433-459 ◽

Cited By ~ 1

Author(s):

Igor I. Baskin ◽

Nelly I. Zhokhova

Keyword(s):

Structure Activity ◽

Activity Modeling ◽

Molecular Fields ◽

Continuous Molecular Fields

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Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies

Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine ◽

10.1007/978-94-017-9257-8_9 ◽

2014 ◽

pp. 271-294 ◽

Cited By ~ 1

Author(s):

D. Toczek ◽

E. Klepacz ◽

S. Roszak ◽

R. Gancarz

Keyword(s):

Experimental Research ◽

Kidney Stones ◽

Computational Studies

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Consensus Drug Design Using IT Microcosm

Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine ◽

10.1007/978-94-017-9257-8_12 ◽

2014 ◽

pp. 369-431 ◽

Cited By ~ 8

Author(s):

Pavel M. Vassiliev ◽

Alexander A. Spasov ◽

Vadim A. Kosolapov ◽

Aida F. Kucheryavenko ◽

Nataliya A. Gurova ◽

...

Keyword(s):

Drug Design

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Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for In Vitro and In Vivo Processes Modeling

Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine ◽

10.1007/978-94-017-9257-8_10 ◽

2014 ◽

pp. 295-323

Author(s):

Sergiy Okovytyy

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Quantum Chemical Investigation

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Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine
Latest Publications

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Published By Springer Netherlands

(How to) Profit from Molecular Dynamics-based Ensemble Docking

Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment

Density Functional Theory Calculations of Enzyme–Inhibitor Interactions in Medicinal Chemistry and Drug Design

DNA Dependent DNA Polymerases as Targets for Low-Weight Molecular Inhibitors: State of Art and Prospects of Rational Design

Cheminformatics: At the Crossroad of Eras

Molecular Structures, Relative Stability, and Proton Affinities of Nucleotides: Broad View and Novel Findings

Continuous Molecular Fields Approach Applied to Structure-Activity Modeling

Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies

Consensus Drug Design Using IT Microcosm

Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for In Vitro and In Vivo Processes Modeling

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Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and MedicineLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

(How to) Profit from Molecular Dynamics-based Ensemble Docking

Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment

Density Functional Theory Calculations of Enzyme–Inhibitor Interactions in Medicinal Chemistry and Drug Design

DNA Dependent DNA Polymerases as Targets for Low-Weight Molecular Inhibitors: State of Art and Prospects of Rational Design

Cheminformatics: At the Crossroad of Eras

Molecular Structures, Relative Stability, and Proton Affinities of Nucleotides: Broad View and Novel Findings

Continuous Molecular Fields Approach Applied to Structure-Activity Modeling

Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies

Consensus Drug Design Using IT Microcosm

Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for In Vitro and In Vivo Processes Modeling

Challenges and Advances in Computational Chemistry and Physics - Application of Computational Techniques in Pharmacy and Medicine
Latest Publications