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SpringerLink电子期刊(10)

在“SpringerLink电子期刊”中，命中：10条，耗时：小于0.01 秒

在所有数据库中总计命中：54条

1. Investigation of graphene-based nanomaterial as nanocarrier for adsorption of paclitaxel anticancer drug: a molecular dynamics simulation study

作者： Zohre Hasanzade ; Heidar Raissi

关键词：Charmm27 Force Field ; Graphene ; based nanomaterial ; Molecular dynamics simulations ; Paclitaxel anti ; cancer drug

刊名：Journal of Molecular Modeling

出版年：2017

2. Effect of mutation on the stabilization energy of HIV-1 zinc fingers: a hybrid local self-consistent field/molecular mechanics investigation

作者： Nedjoua Drici…

关键词：Zinc finger ; Structural stabilization ; Electrostatic interaction ; Mutation ; Density functional theory ; Strictly localized bonding orbital

刊名：JBIC Journal of Biological Inorganic Chemistry

出版年：2017

3. Opening mechanism of adenylate kinase can vary according to selected molecular dynamics force field

作者： Hulya Unan ; Ahmet Yildirim ; Mustafa Tekpinar

关键词：Molecular dynamics ; Force fields ; Adenylate kinase ; Conformational transitions

刊名：Journal of Computer-Aided Molecular Design

出版年：2015

4. Optimization of CHARMM force field parameters for the chalcone fragment

作者：Hui Zhang (1)
Yuan Yao (2)
XiaoLi Qi (2)
ZeSheng Li (2) (3)

关键词：CHARMM ; force ; field ; parameters ; chalcone

刊名：SCIENCE CHINA Chemistry

出版年：2012

5. Structure based virtual screening of non-steroidal anti-inflammatory drugs (NSAIDs) against RNA-binding motif 6 (RBM6) involved in human lung cancer

作者：Tirumalasetty Munichandrababu (1)
Baki Vijaya Bhaskar (1)
Sahukari Ravi (1)
Cherukupalle Bhuvaneswar (1)
Wudayagiri Rajendra (1)

关键词：RNA ; binding protein ; Molecular dynamics ; CHARMM27 ; Ramachandran plot ; Virtual screening

刊名：Medicinal Chemistry Research

出版年：2013

6. Rapid and accurate evaluation of the binding energies and the individual N-H···O=C, N-H···N, C-H···O=C, and C-H···N interaction energies for hydrogen-bonded peptide-base complexes

作者：CuiYing Huang (1)
Yang Li (1)
ChangSheng Wang (1)

关键词：hydrogen bond ; peptide ; base complexes ; total binding energy ; individual hydrogen bonding energy ; dipole ; dipole interaction

刊名：SCIENCE CHINA Chemistry

出版年：2013

7. Molecular dynamics simulation of the preferred conformations of 2-thiouridine in aqueous solution

作者： Ansuman Lahiri ; Joanna Sarzynska ; Lennart Nilsson and Tadeusz Kulinski

关键词：Codon ; anticodon interaction ; Replica exchange molecular dynamics ; Implicit solvent model ; Generalized Born molecular volume

刊名：Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

出版年：2007

8. Potential energy functions for an intramolecular proton transfer reaction in the ground and excited state

作者： Alessandro Cembran and Jiali Gao

刊名：Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

出版年：2007

9.Molecular dynamics simulation of the preferred conformations of 2-thiouridine in aqueous solution

作者：Ansuman Lahiri ; Joanna Sarzynska ; Lennart Nilsson and Tadeusz Kulinski

关键词：Codon ; anticodon interaction ; Replica exchange molecular dynamics ; Implicit solvent model ; Generalized Born molecular volume

刊名：Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

出版年：2007

10.Potential energy functions for an intramolecular proton transfer reaction in the ground and excited state

作者：Alessandro Cembran and Jiali Gao

刊名：Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

出版年：2007

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