作者：Christopher G. Bunick¹ ; ^{christopher.bunick@yale.edu} ; Leonard M. Milstone¹

关键词：K1 ; keratin 1 ; K10 ; keratin 10

刊名：Journal of Investigative Dermatology

出版年：2017

作者：Mohd. Shahbaaz^a ; ¹ ; Safikur Rahman^b ; ¹ ; Parvez Khan^c ; Jihoe Kim^b ; ^{kimjihoe@ynu.ac.kr} ; Md. Imtaiyaz Hassan^c ; ^{mihassan@jmi.ac.in}

关键词：HH ; hereditary hemochromatosis ; HFE ; Hereditary Hemochromatosis Factor E ; MHC ; major histocompatibility complex ; RMSD ; Root Mean Square Deviations ; Rg ; Radius of Gyration ; RMSF ; Root Mean Square Fluctuations ; SASA ; Solvent Accessible Surface Area ; SVM ; Support Vector Machine ; SIFT ; Sorting Intolerant From Tolerant

刊名：Gene Reports

出版年：2017

作者：Arun Bahadur Gurung ; Atanu Bhattacharjee ; ^{atanubioinfo@gmail.com}

关键词：ADA ; Adenosine Deaminase ; MD ; molecular dynamics ; DEG ; Database of Essential Genes ; ROF ; Lipinski's rule of five ; MW ; molecular weight ; clogP ; Octanol-water partition co-efficient ; HBD ; hydrogen bond donor ; HBA ; hydrogen bond acceptor ; NVT ; Number of particles ; Volume and Temperature ; NPT ; Number of particles ; Pressure and Temperature ; RMSD ; root mean square deviation ; RMSF ; root mean square fluctuation ; Rg ; radius of gyration ; SASA ; solvent accessible surface area ; NHBs ; number of intra-molecul

刊名：Gene Reports

出版年：2017

作者：Rajesh Kumar Kar¹ ; Hungyo Kharerin ; Ranjith Padinhateeri ; Paike Jayadeva Bhat ; ^{jayadeva@iitb.ac.in}

关键词：KNF ; Koshland&ndash ; Nemethy&ndash ; Filmer ; MWC ; Monod&ndash ; Wyman&ndash ; Changeux ; Gal3p ; Gal3 protein ; MD ; molecular dynamics ; d.o. ; drop out ; gly/lac ; glycerol plus lactate ; 2-DG ; 2-deoxy-galactose ; Gal1p ; galactokinase ; ORF ; open reading frame ; epPCR ; error-prone PCR ; EtBr ; ethidium bromide ; SDM ; site-directed mutagenesis ; FACS ; fluorescence-activated cell sorting ; CMD ; conventional MD ; TMD ; targeted MD ; SASA ; solvent-accessible surface area ; PCA ; principal component analysis ; PC1 ; first princi

刊名：Journal of Molecular Biology

出版年：2017

作者：Chaoyu Quan^a ; ^b ; Benjamin Stamm^c ; ^d ; ^{best@mathcces.rwth-aachen.de" class="auth_mail" title="E-mail the corresponding author}

关键词：Molecular surface ; Solvent excluded surface ; Solvation models ; Mathematical description ; Constructive algorithm

刊名：Journal of Computational Physics

出版年：2016

作者：Andrew Salazar^a ; ^b ; ^{andrew.salazar@external.merckgroup.com" class="auth_mail" title="E-mail the corresponding author} ; Julia Bleifuß ; ^a ; Anke Simon^a ; Sabrina Schü ; ß ; ler^a ; Michael Keusgen^b ; Nikolai Stankiewicz^a ; Jö ; rg von Hagen^a

关键词：CCM ; Cell culture media ; CDM ; Chemically defined media ; CHO ; Chinese hamster ovary ; DPM ; Dry Powder Media ; FBRM ; Focused Beam Reflectance Measurement ; FTIR ; Fourier transformed Infrared spectroscopy ; mAb ; Monoclonal Antibody ; ppm ; parts per million ; UPLC ; Ultra high performance liquid chromatography ; ρb ; Bulk density ; ρt ; Tapped density

刊名：Powder Technology

出版年：2016

作者：D.L. Azevedo^a ; ^{david888azv@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Kleber A.T. da Silva^b ; P.W. Mauriz^c ; G.M. Viswanathan^d ; F.A. Oliveira^a

关键词：Polynucleotides ; DNA segments ; Fractal ; Molecular mechanics ; Solvent-accessible surface area and volume ; Fibonacci sequence

刊名：Physica A: Statistical Mechanics and its Applications

出版年：2016

作者：Brinda Harish Vagadia^a ; ^{brinda.vagadia@mail.mcgill.ca" class="auth_mail" title="E-mail the corresponding author} ; Sai Kranthi Vanga^a ; Ashutosh Singh^b ; Vijaya Raghavan^a

关键词：MD ; molecular dynamics ; SASA ; Solvent Accessible Surface Area ; RMSD ; Root Mean Square Deviation ; STI ; Soybean Trypsin Inhibitor ; KTI ; Kunitz-type Trypsin Inhibitor ; NMR ; Nuclear Magnetic Resonance Imaging ; VMD ; Visual Molecular Dynamics ; FTIR ; Fourier Transformation Infrared Spectroscopy ; PDB ; Protein Data Base ; PME ; Particle Mesh Ewald ; NVT ; ensemble in which number of atoms ; volume and temperature are constant ; NPT ; ensemble in which number of atoms ; pressure and temperature are constant ; DSSP

刊名：Innovative Food Science & Emerging Technologies

出版年：2016

作者：Martin J. Lavecchia^a ; ^&dagger ; ; Raimon Puig de la Bellacasa^b ; ^&dagger ; ; José ; I. Borrell^b ; Claudio N. Cavasotto^a ; ^{cnc@cavasotto-lab.net" class="auth_mail" title="E-mail the corresponding author} ; ^{ccavasotto@ibioba-mpsp-conicet.gov.ar" class="auth_mail" title="E-mail the corresponding author}

关键词：EGFR ; epidermal growth factor receptor ; MD ; molecular dynamics ; MM/GBSA ; molecular mechanics/generalized born surface area ; MM/PBSA ; molecular mechanics/Poisson&ndash ; Boltzmann surface area ; TK ; tyrosine kinase ; GAFF ; generalized amber force field ; SASA ; solvent-accessible surface area ; TKI ; tyrosine kinase inhibitor ; PDB ; Protein data bank

刊名：Bioorganic & Medicinal Chemistry

出版年：2016

作者：Neshatul Haque ; N. Prakash Prabhu ; ^{nppsl@uohyd.ernet.in" class="auth_mail" title="E-mail the corresponding author}

关键词：PPL-Cl ; procine pancreatic lipase in closed conformation ; PPL-O ; lipase in closed conformation ; PPL+  ; colip ; lipase-colipase complex ; PPL-colip ; only lipase chain of lipase-colipase complex ; PPLmut-Cl ; lipase with point mutations D250V and E254 in closed conformation ; RMSD ; root mean square deviation ; RMSF ; root mean square fluctuation ; Rg ; radius of gyration ; SASA ; solvent accessible surface area ; PCA ; principal component analysis ; RMSIP ; root mean square inner product

刊名：Biochimica et Biophysica Acta (BBA) - General Subjects

出版年：2016