Literature DB >> 9962369

Remarks on "Constant-temperature molecular dynamics with momentum conservation"

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Abstract

Year:  1994        PMID： 9962369     DOI： 10.1103/physreve.50.3234

Source DB:  PubMed          Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics        ISSN： 1063-651X


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  12 in total

1.  Ion and inhibitor binding of the double-ring ion selectivity filter of the mitochondrial calcium uniporter.

Authors:  Chan Cao; Shuqing Wang; Tanxing Cui; Xun-Cheng Su; James J Chou
Journal:  Proc Natl Acad Sci U S A       Date:  2017-03-21       Impact factor: 11.205

2.  Critical Role of Water Molecules in Proton Translocation by the Membrane-Bound Transhydrogenase.

Authors:  Pius S Padayatti; Josephine H Leung; Paween Mahinthichaichan; Emad Tajkhorshid; Andrii Ishchenko; Vadim Cherezov; S Michael Soltis; J Baz Jackson; C David Stout; Robert B Gennis; Qinghai Zhang
Journal:  Structure       Date:  2017-06-22       Impact factor: 5.006

3.  Aspergillus niger β-glucosidase has a cellulase-like tadpole molecular shape: insights into glycoside hydrolase family 3 (GH3) β-glucosidase structure and function.

Authors:  Marisa A Lima; Mario Oliveira-Neto; Marco Antonio S Kadowaki; Flavio R Rosseto; Erica T Prates; Fabio M Squina; Adriana F P Leme; Munir S Skaf; Igor Polikarpov
Journal:  J Biol Chem       Date:  2013-09-24       Impact factor: 5.157

4.  The Interaction of Flavonols with Membrane Components: Potential Effect on Antioxidant Activity.

Authors:  Sarmistha Saha; Emiliano Panieri; Sibel Suzen; Luciano Saso
Journal:  J Membr Biol       Date:  2020-01-02       Impact factor: 1.843

5.  The Plasmodium falciparum malaria M1 alanyl aminopeptidase (PfA-M1): insights of catalytic mechanism and function from MD simulations.

Authors:  Peter M Jones; Mark W Robinson; John P Dalton; Anthony M George
Journal:  PLoS One       Date:  2011-12-21       Impact factor: 3.240

6.  A molecular model of human Lysyl Oxidase (LOX) with optimal copper orientation in the catalytic cavity for induced fit docking studies with potential modulators.

Authors:  Renganathan Bhuvanasundar; Arun John; Konerirajapuram Natarajan Sulochana; Karunakaran Coral; Perinkulam Ravi Deepa; Vetrivel Umashankar
Journal:  Bioinformation       Date:  2014-07-22

7.  Comparative Modeling and Molecular Dynamics Simulation of Substrate Binding in Human Fatty Acid Synthase: Enoyl Reductase and β-Ketoacyl Reductase Catalytic Domains.

Authors:  Arun John; Vetrivel Umashankar; Subramanian Krishnakumar; Perinkulam Ravi Deepa
Journal:  Genomics Inform       Date:  2015-03-31

8.  Computational modeling suggests impaired interactions between NKX2.5 and GATA4 in individuals carrying a novel pathogenic D16N NKX2.5 mutation.

Authors:  Saidulu Mattapally; Mrityunjay Singh; Kona Samba Murthy; Shailendra Asthana; Sanjay K Banerjee
Journal:  Oncotarget       Date:  2018-02-09

9.  X-ray structure and molecular dynamics simulations of endoglucanase 3 from Trichoderma harzianum: structural organization and substrate recognition by endoglucanases that lack cellulose binding module.

Authors:  Érica T Prates; Ivana Stankovic; Rodrigo L Silveira; Marcelo V Liberato; Flávio Henrique-Silva; Nei Pereira; Igor Polikarpov; Munir S Skaf
Journal:  PLoS One       Date:  2013-03-14       Impact factor: 3.240

10.  Modeling cancer genomic data in yeast reveals selection against ATM function during tumorigenesis.

Authors:  Marcel Hohl; Aditya Mojumdar; Sarem Hailemariam; Vitaly Kuryavyi; Fiorella Ghisays; Kyle Sorenson; Matthew Chang; Barry S Taylor; Dinshaw J Patel; Peter M Burgers; Jennifer A Cobb; John H J Petrini
Journal:  PLoS Genet       Date:  2020-03-18       Impact factor: 5.917
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