A citation-based method for searching scientific literature

Md Fulbabu Sk, Rajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar, Parimal Kar. J Biomol Struct Dyn 2021
Times Cited: 40







List of co-cited articles
330 articles co-cited >1



Times Cited
  Times     Co-cited
Similarity




ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB.
James A Maier, Carmenza Martinez, Koushik Kasavajhala, Lauren Wickstrom, Kevin E Hauser, Carlos Simmerling. J Chem Theory Comput 2015
47

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models.
P A Kollman, I Massova, C Reyes, B Kuhn, S Huo, L Chong, M Lee, T Lee, Y Duan, W Wang,[...]. Acc Chem Res 2000
42

Development and testing of a general amber force field.
Junmei Wang, Romain M Wolf, James W Caldwell, Peter A Kollman, David A Case. J Comput Chem 2004
40

UCSF Chimera--a visualization system for exploratory research and analysis.
Eric F Pettersen, Thomas D Goddard, Conrad C Huang, Gregory S Couch, Daniel M Greenblatt, Elaine C Meng, Thomas E Ferrin. J Comput Chem 2004
37



Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors.
Linlin Zhang, Daizong Lin, Xinyuanyuan Sun, Ute Curth, Christian Drosten, Lucie Sauerhering, Stephan Becker, Katharina Rox, Rolf Hilgenfeld. Science 2020
35

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors.
Zhenming Jin, Xiaoyu Du, Yechun Xu, Yongqiang Deng, Meiqin Liu, Yao Zhao, Bing Zhang, Xiaofeng Li, Leike Zhang, Chao Peng,[...]. Nature 2020
32

Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2-a molecular dynamic study.
Muhammad Tahir Khan, Arif Ali, Qiankun Wang, Muhammad Irfan, Abbas Khan, Muhammad Tariq Zeb, Yu-Juan Zhang, Sathishkumar Chinnasamy, Dong-Qing Wei. J Biomol Struct Dyn 2021
63
30




Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes.
Ammar D Elmezayen, Anas Al-Obaidi, Alp Tegin Şahin, Kemal Yelekçi. J Biomol Struct Dyn 2021
195
27

Importance of polar solvation for cross-reactivity of antibody and its variants with steroids.
Parimal Kar, Reinhard Lipowsky, Volker Knecht. J Phys Chem B 2011
31
35


Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2'-O-ribose methyltransferase.
Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera, Monika Jain, Ekampreet Singh, Amita Pathak, Rashmi Prabha Singh, Jayaraman Muthukumaran, Amit Kumar Singh. J Biomol Struct Dyn 2021
174
25

Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: an in silico based approach.
Saurov Mahanta, Purvita Chowdhury, Neelutpal Gogoi, Nabajyoti Goswami, Debajit Borah, Rupesh Kumar, Dipak Chetia, Probodh Borah, Alak K Buragohain, Bhaskarjyoti Gogoi. J Biomol Struct Dyn 2021
41
25




Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in silico approach.
Sukanth Kumar Enmozhi, Kavitha Raja, Irudhayasamy Sebastine, Jerrine Joseph. J Biomol Struct Dyn 2021
163
22

A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2.
Rajib Islam, Md Rimon Parves, Archi Sundar Paul, Nizam Uddin, Md Sajjadur Rahman, Abdulla Al Mamun, Md Nayeem Hossain, Md Ackas Ali, Mohammad A Halim. J Biomol Struct Dyn 2021
133
22

Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors.
Vijay Kumar Bhardwaj, Rahul Singh, Jatin Sharma, Vidya Rajendran, Rituraj Purohit, Sanjay Kumar. J Biomol Struct Dyn 2021
143
22

Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach.
Salman Ali Khan, Komal Zia, Sajda Ashraf, Reaz Uddin, Zaheer Ul-Haq. J Biomol Struct Dyn 2021
172
22

Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment.
Subramanian Boopathi, Adolfo B Poma, Ponmalai Kolandaivel. J Biomol Struct Dyn 2021
221
22


Automatic atom type and bond type perception in molecular mechanical calculations.
Junmei Wang, Wei Wang, Peter A Kollman, David A Case. J Mol Graph Model 2006
22

Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir.
Parimal Kar, Volker Knecht. J Comput Aided Mol Des 2012
42
22



VMD: visual molecular dynamics.
W Humphrey, A Dalke, K Schulten. J Mol Graph 1996
22

Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2 via RNA-dependent RNA polymerase (RdRp) inhibition: an in-silico analysis.
Satyam Singh, Md Fulbabu Sk, Avinash Sonawane, Parimal Kar, Sushabhan Sadhukhan. J Biomol Struct Dyn 2021
44
22


Understanding the binding affinity of noscapines with protease of SARS-CoV-2 for COVID-19 using MD simulations at different temperatures.
Durgesh Kumar, Kamlesh Kumari, Abhilash Jayaraj, Vinod Kumar, Ramappa Venkatesh Kumar, Sujata K Dass, Ramesh Chandra, Prashant Singh. J Biomol Struct Dyn 2021
54
20


Development of remdesivir repositioning as a nucleotide analog against COVID-19 RNA dependent RNA polymerase.
Mohammad Mahdi Nejadi Babadaei, Anwarul Hasan, Yasaman Vahdani, Samir Haj Bloukh, Majid Sharifi, Ehsan Kachooei, Setareh Haghighat, Mojtaba Falahati. J Biomol Struct Dyn 2021
26
30

Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease.
Rakesh S Joshi, Shounak S Jagdale, Sneha B Bansode, S Shiva Shankar, Meenakshi B Tellis, Vaibhav Kumar Pandya, Anita Chugh, Ashok P Giri, Mahesh J Kulkarni. J Biomol Struct Dyn 2021
153
20

Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach.
Lovika Mittal, Anita Kumari, Mitul Srivastava, Mrityunjay Singh, Shailendra Asthana. J Biomol Struct Dyn 2021
97
20

An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets.
Saurabh K Sinha, Anshul Shakya, Satyendra K Prasad, Shashikant Singh, Nilambari S Gurav, Rupali S Prasad, Shailendra S Gurav. J Biomol Struct Dyn 2021
91
20

Stilbene-based natural compounds as promising drug candidates against COVID-19.
Hussain Mustatab Wahedi, Sajjad Ahmad, Sumra Wajid Abbasi. J Biomol Struct Dyn 2021
121
20

Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations.
I Aanouz, A Belhassan, K El-Khatabi, T Lakhlifi, M El-Ldrissi, M Bouachrine. J Biomol Struct Dyn 2021
144
20

Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods.
Canrong Wu, Yang Liu, Yueying Yang, Peng Zhang, Wu Zhong, Yali Wang, Qiqi Wang, Yang Xu, Mingxue Li, Xingzhou Li,[...]. Acta Pharm Sin B 2020
939
20


A modified TIP3P water potential for simulation with Ewald summation.
Daniel J Price, Charles L Brooks. J Chem Phys 2004
510
20

Computational Investigation of Structural Dynamics of SARS-CoV-2 Methyltransferase-Stimulatory Factor Heterodimer nsp16/nsp10 Bound to the Cofactor SAM.
Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, Sayan Poddar, Parimal Kar. Front Mol Biosci 2020
16
50

Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2.
Khattab Al-Khafaji, Dunya Al-Duhaidahawi, Tugba Taskin Tok. J Biomol Struct Dyn 2021
70
17

Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target.
Debanjan Kundu, Chandrabose Selvaraj, Sanjeev Kumar Singh, Vikash Kumar Dubey. J Biomol Struct Dyn 2021
80
17

In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain).
Phulen Sarma, Nishant Shekhar, Manisha Prajapat, Pramod Avti, Hardeep Kaur, Subodh Kumar, Sanjay Singh, Harish Kumar, Ajay Prakash, Deba Prasad Dhibar,[...]. J Biomol Struct Dyn 2021
130
17


Co-cited is the co-citation frequency, indicating how many articles cite the article together with the query article. Similarity is the co-citation as percentage of the times cited of the query article or the article in the search results, whichever is the lowest. These numbers are calculated for the last 100 citations when articles are cited more than 100 times.