Journal of Biomolecular Structure and Dynamics, Volume 40, Issue 1 (2022)

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Journal of Biomolecular Structure and Dynamics, Volume 40, Issue 1 (2022)

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Research Articles

Article
Withanone and Withaferin-A are predicted to interact with transmembrane protease serine 2 (TMPRSS2) and block entry of SARS-CoV-2 into cells
Vipul Kumar, Jaspreet Kaur Dhanjal, Priyanshu Bhargava, Ashish Kaul, Jia Wang, Huayue Zhang, Sunil C. Kaul, Renu Wadhwa & Durai Sundar
Pages: 1-13
Published online: 16 Jun 2020
AbstractforWithanone and Withaferin-A are predicted to interact with transmembrane protease serine 2 (TMPRSS2) and block entry of SARS-CoV-2 into cells | Full Text | References | PDF (2.2 MB) | EPUB
  • 6099 Views
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Article
Designing a multi-epitope vaccine against SARS-CoV-2: an immunoinformatics approach
Abdus Samad, Foysal Ahammad, Zulkar Nain, Rahat Alam, Raihan Rahman Imon, Mahadi Hasan & Md. Shahedur Rahman
Pages: 14-30
Published online: 17 Jul 2020
AbstractforDesigning a multi-epitope vaccine against SARS-CoV-2: an immunoinformatics approach | Full Text | References | PDF (4.2 MB) | EPUB | Supplemental
  • 7132 Views
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Article
Identification of the natural compound inhibitors against Plasmodium falciparum plasmepsin-II via common feature based screening and molecular dynamics simulations
Anu Manhas, Sujeet Kumar & Prakash C. Jha
Pages: 31-43
Published online: 14 Aug 2020
AbstractforIdentification of the natural compound inhibitors against Plasmodium falciparum plasmepsin-II via common feature based screening and molecular dynamics simulations | Full Text | References | PDF (3.4 MB) | EPUB | Supplemental
  • 243 Views
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Article
In vitro, in vivo and in silico rationale for the muscle loss due to therapeutic drugs used in the treatment of Mycobacterium tuberculosis infection
Samridhi Pathak, Nayan Deori, Aditi Sharma, Shirisha Nagotu & Avinash Kale
Pages: 44-60
Published online: 14 Aug 2020
AbstractforIn vitro, in vivo and in silico rationale for the muscle loss due to therapeutic drugs used in the treatment of Mycobacterium tuberculosis infection | Full Text | References | PDF (3.9 MB) | EPUB | Supplemental
  • 260 Views
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Article
A molecular dynamic simulation approach: development of dengue virus vaccine by affinity improvement techniques
Sidra Rafi, Sabina Yasmin & Reaz Uddin
Pages: 61-76
Published online: 31 Aug 2020
AbstractforA molecular dynamic simulation approach: development of dengue virus vaccine by affinity improvement techniques | Full Text | References | PDF (3.6 MB) | EPUB | Supplemental
  • 293 Views
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Article
Some calcium-channel blockers: kinetic and in silico studies on paraoxonase-I
Cüneyt Türkeş, Yeliz Demir & Şükrü Beydemir
Pages: 77-85
Published online: 12 Aug 2020
AbstractforSome calcium-channel blockers: kinetic and in silico studies on paraoxonase-I | Full Text | References | PDF (1.1 MB) | EPUB
  • 593 Views
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Article
In-silico screening of plant-derived antivirals against main protease, 3CLpro and endoribonuclease, NSP15 proteins of SARS-CoV-2
Aniket Sharma, Shubham Goyal, Arvind Kumar Yadav, Pawan Kumar & Lovely Gupta
Pages: 86-100
Published online: 08 Sep 2020
AbstractforIn-silico screening of plant-derived antivirals against main protease, 3CLpro and endoribonuclease, NSP15 proteins of SARS-CoV-2 | Full Text | References | PDF (4 MB) | EPUB | Supplemental
  • 3455 Views
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Article
Antitussive noscapine and antiviral drug conjugates as arsenal against COVID-19: a comprehensive chemoinformatics analysis
Neeraj Kumar, Amardeep Awasthi, Anchala Kumari, Damini Sood, Pallavi Jain, Taru Singh, Neera Sharma, Abhinav Grover & Ramesh Chandra
Pages: 101-116
Published online: 20 Aug 2020
AbstractforAntitussive noscapine and antiviral drug conjugates as arsenal against COVID-19: a comprehensive chemoinformatics analysis | Full Text | References | PDF (6 MB) | EPUB
  • 3355 Views
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Article
Identification of novel Aedes aegypti odorant-binding protein 1 modulators by ligand and structure-based approaches and bioassays
Moysés Fagundes de Araújo Neto, Cleydson Breno Rodrigues dos Santos, Jairo Torres Magalhães-Junior & Franco Henrique Andrade Leite
Pages: 117-129
Published online: 20 Aug 2020
AbstractforIdentification of novel Aedes aegypti odorant-binding protein 1 modulators by ligand and structure-based approaches and bioassays | Full Text | References | PDF (2.5 MB) | EPUB | Supplemental
  • 287 Views
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Article
Locating the binding sites of two aminobenzoic acid derivatives on tRNA: drug binding efficacy and RNA structure
Penparapa Chanphai, Francis Cloutier, Carlos Reyes-Moreno, Gervais Bérubé & Heidar-Ali Tajmir-Riahi
Pages: 130-135
Published online: 18 Aug 2020
AbstractforLocating the binding sites of two aminobenzoic acid derivatives on tRNA: drug binding efficacy and RNA structure | Full Text | References | PDF (1.5 MB) | EPUB
  • 79 Views
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Article
An in-silico evaluation of dietary components for structural inhibition of SARS-Cov-2 main protease
Anand Kumar Pandey & Shalja Verma
Pages: 136-142
Published online: 18 Aug 2020
AbstractforAn in-silico evaluation of dietary components for structural inhibition of SARS-Cov-2 main protease | Full Text | References | PDF (1.6 MB) | EPUB | Supplemental
  • 2088 Views
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Article
In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening
Adib Ghaleb, Adnane Aouidate, Hicham Ben El Ayouchia, Mohammed Aarjane, Hafid Anane & Salah-Eddine Stiriba
Pages: 143-153
Published online: 17 Aug 2020
AbstractforIn silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening | Full Text | References | PDF (1.8 MB) | EPUB
  • 2931 Views
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Article
Antioxidant, anti-quorum sensing, biofilm inhibitory activities and chemical composition of Patchouli essential oil: in vitro and in silico approach
Afrin Mansuri, Kiran Lokhande, Supriya Kore, Swapnil Gaikwad, Neelu Nawani, K. Venkateswara Swamy, Manisha Junnarkar & Sarika Pawar
Pages: 154-165
Published online: 24 Aug 2020
AbstractforAntioxidant, anti-quorum sensing, biofilm inhibitory activities and chemical composition of Patchouli essential oil: in vitro and in silico approach | Full Text | References | PDF (1.6 MB) | EPUB
  • 498 Views
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Article
Immunoinformatics and molecular dynamics studies to predict T-cell-specific epitopes of four Klebsiella pneumoniae fimbriae antigens
Mosayeb Rostamian, Alireza Farasat, Roya Chegene Lorestani, Fatemeh Nemati Zargaran, Keyghobad Ghadiri & Alisha Akya
Pages: 166-176
Published online: 21 Aug 2020
AbstractforImmunoinformatics and molecular dynamics studies to predict T-cell-specific epitopes of four Klebsiella pneumoniae fimbriae antigens | Full Text | References | PDF (1.4 MB) | EPUB | Supplemental
  • 236 Views
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Article
A database of integrated molecular and phytochemical interactions of the foxm1 pathway for lung cancer
Nilubon Kurubanjerdjit & Ka-Lok Ng
Pages: 177-189
Published online: 24 Aug 2020
AbstractforA database of integrated molecular and phytochemical interactions of the foxm1 pathway for lung cancer | Full Text | References | PDF (2.8 MB) | EPUB | Supplemental
  • 143 Views
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Article
Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants – Withania somnifera (Ashwagandha), Tinospora cordifolia (Giloy) and Ocimum sanctum (Tulsi) – a molecular docking study
Priya Shree, Priyanka Mishra, Chandrabose Selvaraj, Sanjeev Kumar Singh, Radha Chaube, Neha Garg & Yamini Bhusan Tripathi
Pages: 190-203
Published online: 27 Aug 2020
AbstractforTargeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants – Withania somnifera (Ashwagandha), Tinospora cordifolia (Giloy) and Ocimum sanctum (Tulsi) – a molecular docking study | Full Text | References | PDF (3.7 MB) | EPUB | Supplemental
  • 20391 Views
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Article
Possible inhibition mechanism of dobutamine hydrochloride as potent inhibitor for human glucose-6-phosphate dehydrogenase enzyme
Gokce Kizilbay & Muhammet Karaman
Pages: 204-212
Published online: 24 Aug 2020
AbstractforPossible inhibition mechanism of dobutamine hydrochloride as potent inhibitor for human glucose-6-phosphate dehydrogenase enzyme | Full Text | References | PDF (1.7 MB) | EPUB | Supplemental
  • 367 Views
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Article
In vitro cytotoxicity studies of smart pH-sensitive lamivudine-loaded CaAl-LDH magnetic nanoparticles against Mel-Rm and A-549 cancer cells
Nahid Shahabadi, Mahtab Razlansari & Hossein Zhaleh
Pages: 213-225
Published online: 01 Sep 2020
AbstractforIn vitro cytotoxicity studies of smart pH-sensitive lamivudine-loaded CaAl-LDH magnetic nanoparticles against Mel-Rm and A-549 cancer cells | Full Text | References | PDF (2.4 MB) | EPUB | Supplemental
  • 340 Views
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Article
Boron nitride nanoclusters, nanoparticles and nanotubes as a drug carrier for isoniazid anti-tuberculosis drug, computational chemistry approaches
H. R. Abd El-Mageed, F. M. Mustafa & Mahmoud K. Abdel-Latif
Pages: 226-235
Published online: 01 Sep 2020
AbstractforBoron nitride nanoclusters, nanoparticles and nanotubes as a drug carrier for isoniazid anti-tuberculosis drug, computational chemistry approaches | Full Text | References | PDF (3.6 MB) | EPUB
  • 415 Views
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Article
Design, synthesis, characterization, biological evaluation, and molecular docking studies of novel 1,2-aminopropanthiols substituted derivatives as selective carbonic anhydrase, acetylcholinesterase and α-glycosidase enzymes inhibitors
Afat Huseynova, Ruya Kaya, Parham Taslimi, Vagif Farzaliyev, Xadija Mammadyarova, Afsun Sujayev, Burak Tüzün, Umit M. Kocyigit, Saleh Alwasel & İlhami Gulçin
Pages: 236-248
Published online: 27 Aug 2020
AbstractforDesign, synthesis, characterization, biological evaluation, and molecular docking studies of novel 1,2-aminopropanthiols substituted derivatives as selective carbonic anhydrase, acetylcholinesterase and α-glycosidase enzymes inhibitors | Full Text | References | PDF (2.4 MB) | EPUB
  • 676 Views
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Article
Structure-based drug repurposing for targeting Nsp9 replicase and spike proteins of severe acute respiratory syndrome coronavirus 2
Vaishali Chandel, Prem Prakash Sharma, Sibi Raj, Ramesh Choudhari, Brijesh Rathi & Dhruv Kumar
Pages: 249-262
Published online: 24 Aug 2020
AbstractforStructure-based drug repurposing for targeting Nsp9 replicase and spike proteins of severe acute respiratory syndrome coronavirus 2 | Full Text | References | PDF (3.4 MB) | EPUB
  • 3657 Views
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Article
Insights into the structural and dynamical changes of spike glycoprotein mutations associated with SARS-CoV-2 host receptor binding
Shahzaib Ahamad, Hema Kanipakam & Dinesh Gupta
Pages: 263-275
Published online: 27 Aug 2020
AbstractforInsights into the structural and dynamical changes of spike glycoprotein mutations associated with SARS-CoV-2 host receptor binding | Full Text | References | PDF (4 MB) | EPUB | Supplemental
  • 2863 Views
  • 14 CrossRef citations
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Article
Targeting homologous recombination (HR) repair mechanism for cancer treatment: discovery of new potential UCHL-3 inhibitors via virtual screening, molecular dynamics and binding mode analysis
Amira A. Alakhdar, Amr H. Saleh & Reem K. Arafa
Pages: 276-289
Published online: 27 Aug 2020
AbstractforTargeting homologous recombination (HR) repair mechanism for cancer treatment: discovery of new potential UCHL-3 inhibitors via virtual screening, molecular dynamics and binding mode analysis | Full Text | References | PDF (3.1 MB) | EPUB
  • 397 Views
  • 3 CrossRef citations
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Article
Study on the interaction of polyamine transport (PAT) and 4-Chloro-naphthalimide-homospermidine conjugate (4-ClNAHSPD) by molecular docking and dynamics
Zhiyong Tian, Luyao Tian, Sihan Zhao, Man Shi, Shudi Guo, Chaojie Wang, Zhihui Tian & Xiaohui He
Pages: 290-296
Published online: 28 Aug 2020
AbstractforStudy on the interaction of polyamine transport (PAT) and 4-Chloro-naphthalimide-homospermidine conjugate (4-ClNAHSPD) by molecular docking and dynamics | Full Text | References | PDF (1.4 MB) | EPUB | Supplemental
  • 103 Views
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Article
Epigenetic-based cancer therapeutics: new potential HDAC8 inhibitors
Malihe Hassanzadeh, Shabnam Mahernia, Gianluca Caprini, Gianluca Fossati, Mehdi Adib, Faezeh Moakedi & Massoud Amanlou
Pages: 297-311
Published online: 04 Sep 2020
AbstractforEpigenetic-based cancer therapeutics: new potential HDAC8 inhibitors | Full Text | References | PDF (4.3 MB) | EPUB | Supplemental
  • 337 Views
  • 1 CrossRef citations
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Article
In silico studies of the interactions between propofol and fentanyl using Gaussian accelerated molecular dynamics
Christopher Faulkner & Nora H. de Leeuw
Pages: 312-324
Published online: 10 Sep 2020
AbstractforIn silico studies of the interactions between propofol and fentanyl using Gaussian accelerated molecular dynamics | Full Text | References | PDF (4 MB) | EPUB
  • 2342 Views
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Open Access
Article
Repurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with Mpro
Abhithaj J, Dileep Francis, Sharanya C.S.Arun K.G.Sadasivan C.E. Jayadevi Variyar
Pages: 325-336
Published online: 02 Sep 2020
AbstractforRepurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with Mpro | Full Text | References | PDF (3.2 MB) | EPUB | Supplemental
  • 2231 Views
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Article
Isolation and characterization of an iridoid, Arbortristoside-C from Nyctanthes arbor-tristis Linn., a potential drug candidate for diabetes targeting α-glucosidase
S. Vajravijayan, N. Nandhagopal, D. Anantha Krishnan & K. Gunasekaran
Pages: 337-347
Published online: 01 Sep 2020
AbstractforIsolation and characterization of an iridoid, Arbortristoside-C from Nyctanthes arbor-tristis Linn., a potential drug candidate for diabetes targeting α-glucosidase | Full Text | References | PDF (3.1 MB) | EPUB
  • 212 Views
  • 3 CrossRef citations
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Article
Proposing a fungal metabolite-flaviolin as a potential inhibitor of 3CLpro of novel coronavirus SARS-CoV-2 identified using docking and molecular dynamics
Priyashi Rao, Arpit Shukla, Paritosh Parmar, Rakesh M. Rawal, Baldev V. Patel, Meenu Saraf & Dweipayan Goswami
Pages: 348-360
Published online: 02 Sep 2020
AbstractforProposing a fungal metabolite-flaviolin as a potential inhibitor of 3CLpro of novel coronavirus SARS-CoV-2 identified using docking and molecular dynamics | Full Text | References | PDF (3.8 MB) | EPUB
  • 2754 Views
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Article
Potential inhibitors of SARS-cov-2 RNA dependent RNA polymerase protein: molecular docking, molecular dynamics simulations and MM-PBSA analyses
Zouhair Elkarhat, Hicham Charoute, Lamiae Elkhattabi, Abdelhamid Barakat & Hassan Rouba
Pages: 361-374
Published online: 02 Sep 2020
AbstractforPotential inhibitors of SARS-cov-2 RNA dependent RNA polymerase protein: molecular docking, molecular dynamics simulations and MM-PBSA analyses | Full Text | References | PDF (3 MB) | EPUB
  • 3736 Views
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Article
The study of EGFR-ligand complex electron property relationship with biological activity
Prateek Pathak, Vladislav Naumovich, Maria Grishina & Vladimir Potemkin
Pages: 375-388
Published online: 08 Sep 2020
AbstractforThe study of EGFR-ligand complex electron property relationship with biological activity | Full Text | References | PDF (3.4 MB) | EPUB
  • 71 Views
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Article
Pharmacoinformatics and hypothetical studies on allicin, curcumin, and gingerol as potential candidates against COVID-19-associated proteases
Babatunde Joseph Oso, Akinwunmi Oluwaseun Adeoye & Ige Francis Olaoye
Pages: 389-400
Published online: 02 Sep 2020
AbstractforPharmacoinformatics and hypothetical studies on allicin, curcumin, and gingerol as potential candidates against COVID-19-associated proteases | Full Text | References | PDF (2.8 MB) | EPUB
  • 5025 Views
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Article
Molecular docking and inhibition profiles of some antibiotics on lactoperoxidase enzyme purified from bovine milk
Ramazan Kalin, Zeynep Köksal, Songül Bayrak, Serpil Gerni, Işıl Nihan Ozyürek, Hande Usanmaz, Muhammet Karaman, Ali Atasever, Hasan Özdemir & İlhami Gülçin
Pages: 401-410
Published online: 28 Aug 2020
AbstractforMolecular docking and inhibition profiles of some antibiotics on lactoperoxidase enzyme purified from bovine milk | Full Text | References | PDF (1.4 MB) | EPUB
  • 865 Views
  • 3 CrossRef citations
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Article
Deciphering inhibitory activity of flavonoids against tau protein kinases: a coupled molecular docking and quantum chemical study
Hassan Rasouli, Seyed Mohammad Bagher Hosseini Ghazvini, Reza Yarani, Ali Altıntaş, Saber Ghafari Nikoo Jooneghani & Teodorico C. Ramalho
Pages: 411-424
Published online: 08 Sep 2020
AbstractforDeciphering inhibitory activity of flavonoids against tau protein kinases: a coupled molecular docking and quantum chemical study | Full Text | References | PDF (4.6 MB) | EPUB | Supplemental
  • 344 Views
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Article
Adsorption of Polyadenylic acid on graphene oxide: experiments and computer modeling
Maksym V. Karachevtsev, Stepan G. Stepanian, Vladimir A. Valeev, Oksana S. Lytvyn, Ludwik Adamowicz & Victor A. Karachevtsev
Pages: 425-437
Published online: 08 Sep 2020
AbstractforAdsorption of Polyadenylic acid on graphene oxide: experiments and computer modeling | Full Text | References | PDF (2.3 MB) | EPUB | Supplemental
  • 125 Views
  • 1 CrossRef citations
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Article
Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing study
Rameez Jabeer Khan, Rajat Kumar Jha, Ekampreet Singh, Monika Jain, Gizachew Muluneh Amera, Rashmi Prabha Singh, Jayaraman Muthukumaran & Amit Kumar Singh
Pages: 438-448
Published online: 04 Sep 2020
AbstractforIdentification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing study | Full Text | References | PDF (3.1 MB) | EPUB | Supplemental
  • 2439 Views
  • 14 CrossRef citations
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Article
Rising trend on the halogen and non-halogen derivatives (Br, Cl, CF3, F, CH3 and NH2) in ruminal β-d-Xylopyranose – a quantum chemical perspective
Palanisamy Deepa & Duraisamy Thirumeignanam
Pages: 449-467
Published online: 03 Sep 2020
AbstractforRising trend on the halogen and non-halogen derivatives (Br, Cl, CF3, F, CH3 and NH2) in ruminal β-d-Xylopyranose – a quantum chemical perspective | Full Text | References | PDF (5.3 MB) | EPUB | Supplemental
  • 89 Views
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Article
Function and evolution of B-Raf loop dynamics relevant to cancer recurrence under drug inhibition
Gregory A. Babbitt, Miranda L. Lynch, Matthew McCoy, Ernest P. Fokoue & André O. Hudson
Pages: 468-483
Published online: 08 Sep 2020
AbstractforFunction and evolution of B-Raf loop dynamics relevant to cancer recurrence under drug inhibition | Full Text | References | PDF (3.7 MB) | EPUB | Supplemental
  • 194 Views
  • 5 CrossRef citations
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Article
In-silico anti-inflammatory potential of guaiane dimers from Xylopia vielana targeting COX-2
Syed Shams ul Hassan, Wei-Dong Zhang, Hui-zi Jin, Syed Hussain Basha & S. V. S. Sasi Priya
Pages: 484-498
Published online: 02 Sep 2020
AbstractforIn-silico anti-inflammatory potential of guaiane dimers from Xylopia vielana targeting COX-2 | Full Text | References | PDF (3.6 MB) | EPUB | Supplemental
  • 453 Views
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Article
Identify thrombin inhibitor with novel skeleton based on virtual screening study
Zhipeng Tang, Yujie Ren & Fei Liu
Pages: 499-507
Published online: 02 Sep 2020
AbstractforIdentify thrombin inhibitor with novel skeleton based on virtual screening study | Full Text | References | PDF (1.2 MB) | EPUB | Supplemental
  • 226 Views
  • 3 CrossRef citations
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Article
Ribonucleocapsid assembly/packaging signals in the genomes of the coronaviruses SARS-CoV and SARS-CoV-2: detection, comparison and implications for therapeutic targeting
Vladimir R. Chechetkin & Vasily V. Lobzin
Pages: 508-522
Published online: 09 Sep 2020
AbstractforRibonucleocapsid assembly/packaging signals in the genomes of the coronaviruses SARS-CoV and SARS-CoV-2: detection, comparison and implications for therapeutic targeting | Full Text | References | PDF (3.6 MB) | EPUB | Supplemental
  • 1897 Views
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Article
Drug similarity and structure-based screening of medicinal compounds to target macrodomain-I from SARS-CoV-2 to rescue the host immune system: a molecular dynamics study
Zainib Babar, Mazhar Khan, Mubeen Zahra, Munazza Anwar, Kashif Noor, Huma Farooque Hashmi, Muhammad Suleman, Muhammad Waseem, Abdullah Shah, Shahid Ali & Syed Shujait Ali
Pages: 523-537
Published online: 08 Sep 2020
AbstractforDrug similarity and structure-based screening of medicinal compounds to target macrodomain-I from SARS-CoV-2 to rescue the host immune system: a molecular dynamics study | Full Text | References | PDF (4 MB) | EPUB | Supplemental
  • 1701 Views
  • 6 CrossRef citations
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Article
The cocrystal of 3-((4-(3-isocyanobenzyl) piperazine-1-yl) methyl) benzonitrile with 5-hydroxy isophthalic acid prevents protofibril formation of serum albumin
Sadiya Shabbir, Mohd Muslim, Shivani A. Muthu, Raghuvir R. S. Pissurlenkar, Shaista Fatima, Arif Ali, Aiman Ahmad, Musheer Ahmad & Basir Ahmad
Pages: 538-548
Published online: 02 Sep 2020
AbstractforThe cocrystal of 3-((4-(3-isocyanobenzyl) piperazine-1-yl) methyl) benzonitrile with 5-hydroxy isophthalic acid prevents protofibril formation of serum albumin | Full Text | References | PDF (2 MB) | EPUB | Supplemental
  • 129 Views
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Article
A 200 nanoseconds all-atom simulation of the pH-dependent EF loop transition in bovine β-lactoglobulin. The role of the orientation of the E89 side chain
Kiara Fenner, Arthur Redgate & Lorenzo Brancaleon
Pages: 549-564
Published online: 10 Sep 2020
AbstractforA 200 nanoseconds all-atom simulation of the pH-dependent EF loop transition in bovine β-lactoglobulin. The role of the orientation of the E89 side chain | Full Text | References | PDF (3.1 MB) | EPUB | Supplemental
  • 162 Views
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Express Communication

Article
Reactivity of allyl methyl sulphide, the in-vitro metabolite of garlic, with some amino acids and with phospholipid involved in viral infections
Anil K. Sinha, Saleem A. Farooqui, Ankita Sharma, Ankit Mishra & Vikas Verma
Pages: 565-571
Published online: 24 Aug 2020
AbstractforReactivity of allyl methyl sulphide, the in-vitro metabolite of garlic, with some amino acids and with phospholipid involved in viral infections | Full Text | References | PDF (1.7 MB) | EPUB | Supplemental
  • 317 Views
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Hypothesis Paper

Article
On the origin of matrix mechanism in protocells and key problems of molecular biology
Eduard Y. Kostetsky & Vladimir N. Uversky
Pages: 572-583
Published online: 21 Aug 2020
AbstractforOn the origin of matrix mechanism in protocells and key problems of molecular biology | Full Text | References | PDF (1.8 MB) | EPUB
  • 179 Views
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