Journal of Biomolecular Structure and Dynamics, Volume 41, Issue 13 (2023)

Browse this journal
Sample our Bioscience journals, sign in here to start your access, Latest two full volumes FREE to you for 14 days

Journal of Biomolecular Structure and Dynamics, Volume 41, Issue 13 (2023)

See all volumes and issues
Vol 42, 2024 Volume 41, 2023 Vol 40, 2022 Vol 39, 2021 Vol 38, 2020 Vol 37, 2019 Vol 36, 2018 Vol 35, 2017 Vol 34, 2016 Vol 33, 2015 Vol 32, 2014 Vol 31, 2013 Vol 30, 2012 Vol 29, 2011-2012 Vol 28, 2010-2011 Vol 27, 2009-2010 Vol 26, 2008-2009 Vol 25, 2007-2008 Vol 24, 2006-2007 Vol 23, 2005-2006 Vol 22, 2004-2005 Vol 21, 2003-2004 Vol 20, 2002-2003 Vol 19, 2001-2002 Vol 18, 2000-2001 Vol 17, 1999-2000 Vol 16, 1998-1999 Vol 15, 1997-1998 Vol 14, 1996-1997 Vol 13, 1995-1996 Vol 12, 1994-1995 Vol 11, 1993-1994 Vol 10, 1992-1993 Vol 9, 1991-1992 Vol 8, 1990-1991 Vol 7, 1989-1990 Vol 6, 1988-1989 Vol 5, 1987-1988 Vol 4, 1986-1987 Vol 3, 1985-1986 Vol 2, 1984-1985 Vol 1, 1983-1984
Download citations Download PDFs

Research Articles

Article
Evaluation of apigenin-based biflavonoid derivatives as potential therapeutic agents against viral protease (3CLpro) of SARS-CoV-2 via molecular docking, molecular dynamics and quantum mechanics studies
Rahman Abdizadeh, Farzin Hadizadeh & Tooba Abdizadeh
Pages: 5915-5945
Published online: 18 Jul 2022
AbstractforEvaluation of apigenin-based biflavonoid derivatives as potential therapeutic agents against viral protease (3CLpro) of SARS-CoV-2 via molecular docking, molecular dynamics and quantum mechanics studies | Full Text | References | PDF (7.7 MB) | EPUB | Supplemental
  • 245 Views
  • 2 CrossRef citations
  • 0Altmetric
Article
Evaluating the accuracy of the AMBER protein force fields in modeling dihydrofolate reductase structures: misbalance in the conformational arrangements of the flexible loop domains
Olivia Love, Maria Carolina Pacheco Lima, Casey Clark, Sean Cornillie, Shelly Roalstad & Thomas E. Cheatham III
Pages: 5946-5960
Published online: 15 Jul 2022
AbstractforEvaluating the accuracy of the AMBER protein force fields in modeling dihydrofolate reductase structures: misbalance in the conformational arrangements of the flexible loop domains | Full Text | References | PDF (3.6 MB) | EPUB | Supplemental
  • 2198 Views
  • 4 CrossRef citations
  • 0Altmetric
Open Access
Article
Intercalation of diafenthiuron insecticide with calf thymus DNA: spectroscopic and molecular dynamics analysis
S. Ponkarpagam, K. N. Vennila & Kuppanagounder P. Elango
Pages: 5961-5969
Published online: 18 Jul 2022
AbstractforIntercalation of diafenthiuron insecticide with calf thymus DNA: spectroscopic and molecular dynamics analysis | Full Text | References | PDF (2.2 MB) | EPUB | Supplemental
  • 123 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Bis-1,2,4-triazol derivatives: Synthesis, characterization, DFT, antileishmanial activity and molecular docking study
Nevin Süleymanoğlu, Reşat Ustabaş, Halil İbrahim Güler, Şahin Direkel, Fatih Çelik & Yasemin Ünver
Pages: 5970-5980
Published online: 19 Jul 2022
AbstractforBis-1,2,4-triazol derivatives: Synthesis, characterization, DFT, antileishmanial activity and molecular docking study | Full Text | References | PDF (1.7 MB) | EPUB
  • 621 Views
  • 1 CrossRef citations
  • 0Altmetric
Article
DFT evaluation of structural, electronic and variation properties for complex carbohydrates with biological interest
Khadidja Adjir, Majda Sekkal-Rahal & Michael Springborg
Pages: 5981-5989
Published online: 15 Jul 2022
AbstractforDFT evaluation of structural, electronic and variation properties for complex carbohydrates with biological interest | Full Text | References | PDF (2 MB) | EPUB
  • 105 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Chemically synthesised flavone and coumarin based isoxazole derivatives as broad spectrum inhibitors of serine β-lactamases and metallo-β-lactamases: a computational, biophysical and biochemical study
Nabeela Farhat, Abid Ali, Mohd Waheed, Divya Gupta & Asad U. Khan
Pages: 5990-6000
Published online: 18 Jul 2022
AbstractforChemically synthesised flavone and coumarin based isoxazole derivatives as broad spectrum inhibitors of serine β-lactamases and metallo-β-lactamases: a computational, biophysical and biochemical study | Full Text | References | PDF (2.6 MB) | EPUB | Supplemental
  • 264 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Efficient proton shuttle makes SazCA an excellent CO2 hydration enzyme
Shashi Kumar & Parag A. Deshpande
Pages: 6001-6010
Published online: 21 Jul 2022
AbstractforEfficient proton shuttle makes SazCA an excellent CO2 hydration enzyme | Full Text | References | PDF (2.8 MB) | EPUB
  • 251 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Structure based virtual screening and molecular dynamics of natural anti-biofilm compounds against SagS response regulator/sensor kinase in Pseudomonas aeruginosa
Santosh Kumar Behera, Amrita Kumari Panda, Rojita Mishra, Arabinda Mahanty & Satpal Singh Bisht
Pages: 6011-6026
Published online: 22 Jul 2022
AbstractforStructure based virtual screening and molecular dynamics of natural anti-biofilm compounds against SagS response regulator/sensor kinase in Pseudomonas aeruginosa | Full Text | References | PDF (2.4 MB) | EPUB | Supplemental
  • 288 Views
  • 1 CrossRef citations
  • 0Altmetric
Article
Modeling and computational characterization of a Xanthomonas sp. Hypothetical protein identifies a remote ortholog of Burkholderia lethal factor 1
Nur Afiqah Shalihin Muhamad Ismail, Su Hui Yap, Mohamad Ariff Mohamad Yussoff, Nor Azlan Nor Muhammad, Mohd Firdaus-Raih & Doris Huai Xia Quay
Pages: 6027-6039
Published online: 21 Jul 2022
AbstractforModeling and computational characterization of a Xanthomonas sp. Hypothetical protein identifies a remote ortholog of Burkholderia lethal factor 1 | Full Text | References | PDF (3.7 MB) | EPUB | Supplemental
  • 268 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Free energy simulations to study mutational effect of a conserved residue, Trp24, on stability of human serum retinol-binding protein
Kyung-Hoon Lee & Krzysztof Kuczera
Pages: 6040-6050
Published online: 28 Jul 2022
AbstractforFree energy simulations to study mutational effect of a conserved residue, Trp24, on stability of human serum retinol-binding protein | Full Text | References | PDF (1.3 MB) | EPUB
  • 66 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Evaluation of the dual effects of antiviral drugs on SARS-CoV-2 receptors and the ACE2 receptor using structure-based virtual screening and molecular dynamics simulation
Hamid Reza Jahantigh, Nahid Ahmadi, Behzad Shahbazi, Piero Lovreglio, Mehri Habibi, Angela Stufano, Hamed Gouklani & Khadijeh Ahmadi
Pages: 6051-6073
Published online: 25 Jul 2022
AbstractforEvaluation of the dual effects of antiviral drugs on SARS-CoV-2 receptors and the ACE2 receptor using structure-based virtual screening and molecular dynamics simulation | Full Text | References | PDF (6.1 MB) | EPUB | Supplemental
  • 178 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Anti-apoptotic Bcl-2 protein in apo and holo conformation anchored to the membrane: comparative molecular dynamics simulations
Luis Alberto Caro-Gómez, Jorge L. Rosas-Trigueros, Edgar Mixcoha, Absalom Zamorano-Carrillo, Jesús Martínez-Martínez & Claudia Guadalupe Benítez-Cardoza
Pages: 6074-6088
Published online: 22 Jul 2022
AbstractforAnti-apoptotic Bcl-2 protein in apo and holo conformation anchored to the membrane: comparative molecular dynamics simulations | Full Text | References | PDF (5.4 MB) | EPUB
  • 296 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Pharmacophore-based virtual screening, molecular docking and molecular dynamics simulations study for the identification of LIM kinase-1 inhibitors
Ravi Singh, Ankit Vyankatrao Pokle, Powsali Ghosh, Ankit Ganeshpurkar, Rayala Swetha, Sushil Kumar Singh & Ashok Kumar
Pages: 6089-6103
Published online: 21 Jul 2022
AbstractforPharmacophore-based virtual screening, molecular docking and molecular dynamics simulations study for the identification of LIM kinase-1 inhibitors | Full Text | References | PDF (4.3 MB) | EPUB | Supplemental
  • 515 Views
  • 3 CrossRef citations
  • 0Altmetric
Article
Molecular docking and molecular dynamic simulations of apoptosis proteins with potential anticancer compounds present in Clinacanthus nutans extract using gas chromatography–mass spectrometry
Noor Zafirah Ismail, Wan Ahmad Syazani Mohamed, Nurhidayah Ab. Rahim, Nor Munira Hashim, Ismail Abiola Adebayo, Nur Nadhirah Mohamad Zain & Hasni Arsad
Pages: 6104-6120
Published online: 27 Jul 2022
AbstractforMolecular docking and molecular dynamic simulations of apoptosis proteins with potential anticancer compounds present in Clinacanthus nutans extract using gas chromatography–mass spectrometry | Full Text | References | PDF (2.9 MB) | EPUB | Supplemental
  • 442 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Designing ferritin nanocage based vaccine candidates for SARS-CoV-2 by in silico engineering of its HLA I and HLA II epitope peptides
Pratibha Manickavasagam, Suman Abhishek & Eerappa Rajakumara
Pages: 6121-6133
Published online: 27 Jul 2022
AbstractforDesigning ferritin nanocage based vaccine candidates for SARS-CoV-2 by in silico engineering of its HLA I and HLA II epitope peptides | Full Text | References | PDF (3.6 MB) | EPUB | Supplemental
  • 168 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Structural basis for the selectivity of 3rd generation EGFR inhibitors: a molecular dynamics study
Mazen M. Gad, Ahmad Abdelwaly & Mohamed A. Helal
Pages: 6134-6144
Published online: 29 Jul 2022
AbstractforStructural basis for the selectivity of 3rd generation EGFR inhibitors: a molecular dynamics study | Full Text | References | PDF (2.3 MB) | EPUB | Supplemental
  • 273 Views
  • 3 CrossRef citations
  • 0Altmetric
Article
DPP-4 inhibition mediated antidiabetic potential of phytoconstituents of an aqueous fruit extract of Withania coagulans (Stocks) Dunal: in-silico, in-vitro and in-vivo assessments
Pramod Kumar, Heera Ram, Chandra Kala, Priya Kashyap, Garima Singh, Charu Agnihotri, Bhim Pratap Singh, Ashok Kumar & Anil Panwar
Pages: 6145-6167
Published online: 05 Aug 2022
AbstractforDPP-4 inhibition mediated antidiabetic potential of phytoconstituents of an aqueous fruit extract of Withania coagulans (Stocks) Dunal: in-silico, in-vitro and in-vivo assessments | Full Text | References | PDF (7.5 MB) | EPUB | Supplemental
  • 306 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Identification of second generation benzylidene chromanone analogues as novel, potent DHODH inhibitors in acute myeloid leukemia cells
Mohammad Abohassan, Mesfer Al Shahrani & Prasanna Rajagopalan
Pages: 6168-6177
Published online: 22 Jul 2022
AbstractforIdentification of second generation benzylidene chromanone analogues as novel, potent DHODH inhibitors in acute myeloid leukemia cells | Full Text | References | PDF (3.3 MB) | EPUB
  • 227 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Implementing accelerated dynamics to unravel the effects of high-fidelity Cas9 mutants on target DNA and guide RNA hybrid stability
Dhvani Sandip Vora, Atul Kumar Jaiswal & Durai Sundar
Pages: 6178-6190
Published online: 26 Jul 2022
AbstractforImplementing accelerated dynamics to unravel the effects of high-fidelity Cas9 mutants on target DNA and guide RNA hybrid stability | Full Text | References | PDF (2.6 MB) | EPUB | Supplemental
  • 301 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
A strategy to optimize the peptide-based inhibitors against different mutants of the spike protein of SARS-CoV-2
Prerna Priya, Abdul Basit & Pradipta Bandyopadhyay
Pages: 6191-6202
Published online: 26 Jul 2022
AbstractforA strategy to optimize the peptide-based inhibitors against different mutants of the spike protein of SARS-CoV-2 | Full Text | References | PDF (2.3 MB) | EPUB | Supplemental
  • 202 Views
  • 1 CrossRef citations
  • 0Altmetric
Article
Molecular dynamics simulations reveal the inhibitory mechanism of Withanolide A against α-glucosidase and α-amylase
Habeebat Adekilekun Oyewusi, Yuan-Seng Wu, Sher Zaman Safi, Roswanira Abdul Wahab, Mohd Hayrie Mohd Hatta & Kalaivani Batumalaie
Pages: 6203-6218
Published online: 29 Jul 2022
AbstractforMolecular dynamics simulations reveal the inhibitory mechanism of Withanolide A against α-glucosidase and α-amylase | Full Text | References | PDF (3.8 MB) | EPUB
  • 284 Views
  • 4 CrossRef citations
  • 0Altmetric
Article
Structural modelling and in silico pharmacology of β-carboline alkaloids as potent 5-HT1A receptor antagonists and reuptake inhibitors
Yusuf Oloruntoyin Ayipo, Waleed A. Alananzeh, Iqrar Ahmad, Harun Patel & Mohd Nizam Mordi
Pages: 6219-6235
Published online: 26 Jul 2022
AbstractforStructural modelling and in silico pharmacology of β-carboline alkaloids as potent 5-HT1A receptor antagonists and reuptake inhibitors | Full Text | References | PDF (4.6 MB) | EPUB | Supplemental
  • 372 Views
  • 3 CrossRef citations
  • 0Altmetric
Article
In silico analysis of the C-terminal domain of big defensin from the Pacific oyster
Dipanjana Dhar & Debayan Dey
Pages: 6236-6248
Published online: 02 Aug 2022
AbstractforIn silico analysis of the C-terminal domain of big defensin from the Pacific oyster | Full Text | References | PDF (3.7 MB) | EPUB
  • 116 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Efficient DNA-ligand interaction framework using fuzzy C-means clustering based glowworm swarm optimization (FCMGSO) method
E Kiruba Nesamalar, J SatheeshKumar & T Amudha
Pages: 6249-6261
Published online: 05 Aug 2022
AbstractforEfficient DNA-ligand interaction framework using fuzzy C-means clustering based glowworm swarm optimization (FCMGSO) method | Full Text | References | PDF (1.6 MB) | EPUB
  • 52 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Evaluation of DNA damage induced by acesulfame potassium: spectroscopic, molecular modeling simulations and toxicity studies
Saba Hadidi, Kambiz Varmira & Leila Soltani
Pages: 6262-6271
Published online: 02 Aug 2022
AbstractforEvaluation of DNA damage induced by acesulfame potassium: spectroscopic, molecular modeling simulations and toxicity studies | Full Text | References | PDF (2 MB) | EPUB
  • 228 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Insight on the interaction between the scorpion toxin blocker Discrepin on potassium voltage-gated channel Kv4.3 by molecular dynamics simulations
Pavel A. Montero-Domínguez, Sergio Mares-Sámano & Ramón Garduño-Juárez
Pages: 6272-6281
Published online: 02 Aug 2022
AbstractforInsight on the interaction between the scorpion toxin blocker Discrepin on potassium voltage-gated channel Kv4.3 by molecular dynamics simulations | Full Text | References | PDF (2.3 MB) | EPUB | Supplemental
  • 300 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Design, synthesis, extra-precision docking, and molecular dynamics simulation studies of pyrrolidin-2-one derivatives as potential acetylcholinesterase inhibitors
Mohan Gupta, Avinash Kumar, Chakrawarti Prasun, Maya S. Nair, Suvarna G. Kini, Divya Yadav & Sumitra Nain
Pages: 6282-6294
Published online: 03 Aug 2022
AbstractforDesign, synthesis, extra-precision docking, and molecular dynamics simulation studies of pyrrolidin-2-one derivatives as potential acetylcholinesterase inhibitors | Full Text | References | PDF (2.9 MB) | EPUB | Supplemental
  • 268 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Structural, vibrational spectroscopy, molecular docking, DFT studies and antibacterial activity of (E)-N1-(3-chlorobenzylidene)benzene-1,4-diamine
Towseef Ahmad Hajam, Saleem H.F. M. Mashood Ahamed
Pages: 6295-6312
Published online: 02 Aug 2022
AbstractforStructural, vibrational spectroscopy, molecular docking, DFT studies and antibacterial activity of (E)-N1-(3-chlorobenzylidene)benzene-1,4-diamine | Full Text | References | PDF (3.2 MB) | EPUB | Supplemental
  • 288 Views
  • 3 CrossRef citations
  • 0Altmetric
Article
An exploration on the topologies of SARS-CoV-2/human protein-protein interaction network
A. A. Navish & R. Uthayakumar
Pages: 6313-6325
Published online: 10 Aug 2022
AbstractforAn exploration on the topologies of SARS-CoV-2/human protein-protein interaction network | Full Text | References | PDF (2.9 MB) | EPUB
  • 155 Views
  • 1 CrossRef citations
  • 0Altmetric
Article
Seasonal variation of the composition of essential oils from Piper cernuum Vell and Piper rivinoides Kunth, ADMET study, DFT calculations, molecular docking and dynamics studies of major components as potent inhibitors of the heterodimer methyltransferase complex NSP16-NSP10 SARS COV-2 protein
Antonio Linkoln Alves Borges Leal, Camila Fonseca Bezerra, Andressa Kelly Ferreira e Silva, Luiz Everson da Silva, Lucas Lima Bezerra, Francisco Wagner Almeida-Neto, Emanuelle Machado Marinho, Carla Freire Celedonio Fernandes, Matheus Nunes da Rocha, Marcia Machado Marinho, Henrique D. M. Coutinho, Humberto Medeiros Barreto, Ana Rafaela Freitas Dotto, Wanderlei do Amaral, Hélcio Silva dos Santos, Pedro de Lima-Neto & Emmanuel Silva Marinho
Pages: 6326-6344
Published online: 09 Aug 2022
AbstractforSeasonal variation of the composition of essential oils from Piper cernuum Vell and Piper rivinoides Kunth, ADMET study, DFT calculations, molecular docking and dynamics studies of major components as potent inhibitors of the heterodimer methyltransferase complex NSP16-NSP10 SARS COV-2 protein | Full Text | References | PDF (3.6 MB) | EPUB | Supplemental
  • 229 Views
  • 3 CrossRef citations
  • 0Altmetric
Article
Design, dynamic docking, synthesis, and in vitro validation of a novel DNA gyrase B inhibitor
Akhila Pudipeddi, Sahana Vasudevan, Karthi Shanmugam, Suma Mohan S, Pothiappan Vairaprakash, Prasanna Neelakantan, Alex Stanley Balraj & Adline Princy Solomon
Pages: 6345-6358
Published online: 04 Aug 2022
AbstractforDesign, dynamic docking, synthesis, and in vitro validation of a novel DNA gyrase B inhibitor | Full Text | References | PDF (3 MB) | EPUB | Supplemental
  • 254 Views
  • 2 CrossRef citations
  • 0Altmetric
Article
To probe the activation mechanism of the Delta opioid receptor by an agonist ADL5859 started from inactive conformation using molecular dynamic simulations
Emily Dean, Vikash Kumar, Ashleigh McConnell, Iohana B. Pagnoncelli & Chun Wu
Pages: 6359-6376
Published online: 08 Aug 2022
AbstractforTo probe the activation mechanism of the Delta opioid receptor by an agonist ADL5859 started from inactive conformation using molecular dynamic simulations | Full Text | References | PDF (3.5 MB) | EPUB | Supplemental
  • 144 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
A multi-spectroscopic and computational simulations study to delineate the interaction between antimalarial drug hydroxychloroquine and human serum albumin
Kashish Azeem, Mofieed Ahmed, Taj Mohammad, Amad Uddin, Anas Shamsi, Md. Imtaiyaz Hassan, Shailja Singh, Rajan Patel & Mohammad Abid
Pages: 6377-6393
Published online: 04 Aug 2022
AbstractforA multi-spectroscopic and computational simulations study to delineate the interaction between antimalarial drug hydroxychloroquine and human serum albumin | Full Text | References | PDF (4.3 MB) | EPUB
  • 281 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Binding energy analysis and molecular dynamic simulation studies of the designed orally active, non-toxic GABARAP modulators
Megha P. Nambiar, N. Ashwanikumar, Anakuthil Anoop & A. R. Biju
Pages: 6394-6412
Published online: 09 Aug 2022
AbstractforBinding energy analysis and molecular dynamic simulation studies of the designed orally active, non-toxic GABARAP modulators | Full Text | References | PDF (4.4 MB) | EPUB | Supplemental
  • 305 Views
  • 1 CrossRef citations
  • 0Altmetric
Article
Flap sub-domain dynamics of serine-threonine phosphatase (Stp1) of Staphylococcus aureus: an accelerated molecular dynamics simulation study
Pranabesh Mandal, Priyanka Rani, Girish Chandra & Durg Vijay Singh
Pages: 6413-6421
Published online: 05 Aug 2022
AbstractforFlap sub-domain dynamics of serine-threonine phosphatase (Stp1) of Staphylococcus aureus: an accelerated molecular dynamics simulation study | Full Text | References | PDF (2.5 MB) | EPUB | Supplemental
  • 173 Views
  • 0 CrossRef citations
  • 0Altmetric

Hypothesis Paper

Article
Human TMPRSS2 non-catalytic ectodomain and SARS-CoV-2 S2' subunit interaction mediated SARS-CoV-2 endocytosis: a model proposal with virtual screening for potential drug molecules to inhibit this interaction
Guruprasad Varma Konduru & Hampapathalu Adimurthy Nagarajaram
Pages: 6422-6433
Published online: 31 Jul 2022
AbstractforHuman TMPRSS2 non-catalytic ectodomain and SARS-CoV-2 S2' subunit interaction mediated SARS-CoV-2 endocytosis: a model proposal with virtual screening for potential drug molecules to inhibit this interaction | Full Text | References | PDF (2.2 MB) | EPUB | Supplemental
  • 232 Views
  • 0 CrossRef citations
  • 0Altmetric

Rapid Communications

Rapid Communication
Synthesis of aminochalcones and in silico evaluation of their antiparasitic potential against Leishmania
Lucas Lima Bezerra, Francisco Wagner Queiroz Almeida-Neto, Márcia Machado Marinho, Larissa Santos Oliveira, Alexandre Magno Rodrigues Teixeira, Paulo Nogueira Bandeira, Hélcio Silva dos Santos, Pedro de Lima-Neto & Emmanuel Silva Marinho
Pages: 6434-6441
Published online: 27 Jul 2022
AbstractforSynthesis of aminochalcones and in silico evaluation of their antiparasitic potential against Leishmania | Full Text | References | PDF (1.9 MB) | EPUB
  • 198 Views
  • 2 CrossRef citations
  • 0Altmetric
Rapid Communication
Insights into the microevolution of SARS-ACE2 interactions: in silico analysis of glycosylation and SNP pattern
Pavan K Madasu, Arpita Maity, Surya K. Ghosh & Thyageshwar Chandran
Pages: 6442-6449
Published online: 05 Aug 2022
AbstractforInsights into the microevolution of SARS-ACE2 interactions: in silico analysis of glycosylation and SNP pattern | Full Text | References | PDF (2 MB) | EPUB | Supplemental
  • 183 Views
  • 1 CrossRef citations
  • 0Altmetric
Rapid Communication
Probing interactions of aminoacyl-adenylate with Mycobacterium tuberculosis methionyl-tRNA synthetase through in silico site-directed mutagenesis and free energy calculation
Galyna P. Volynets, Olga I. Gudzera, Mariia O. Usenko, Oksana B. Gorbatiuk, Sergiy M. Yarmoluk & Michael A. Tukalo
Pages: 6450-6458
Published online: 05 Aug 2022
AbstractforProbing interactions of aminoacyl-adenylate with Mycobacterium tuberculosis methionyl-tRNA synthetase through in silico site-directed mutagenesis and free energy calculation | Full Text | References | PDF (1.7 MB) | EPUB | Supplemental
  • 129 Views
  • 1 CrossRef citations
  • 0Altmetric

Explore articles