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



Times Cited
  Times     Co-cited
Similarity


Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations.
Md Fulbabu Sk, Rajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar, Parimal Kar. J Biomol Struct Dyn 2021
43
95

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
59



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
54

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
54

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
176
45

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
45




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
40

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
40


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
134
40




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
224
36

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
36


Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir.
Parimal Kar, Volker Knecht. J Comput Aided Mol Des 2012
42
36



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
93
36


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
197
36

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
146
36

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
66
36


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
18
44

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
175
31

The energy landscapes and motions of proteins.
H Frauenfelder, S G Sligar, P G Wolynes. Science 1991
31

LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions.
A C Wallace, R A Laskowski, J M Thornton. Protein Eng 1995
31



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
156
31


Stilbene-based natural compounds as promising drug candidates against COVID-19.
Hussain Mustatab Wahedi, Sajjad Ahmad, Sumra Wajid Abbasi. J Biomol Struct Dyn 2021
122
31

A modified TIP3P water potential for simulation with Ewald summation.
Daniel J Price, Charles L Brooks. J Chem Phys 2004
520
31


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
166
31

Repurposing of chloroquine and some clinically approved antiviral drugs as effective therapeutics to prevent cellular entry and replication of coronavirus.
Akinwunmi O Adeoye, Babatunde Joseph Oso, Ige Francis Olaoye, Habibu Tijjani, Ahmed I Adebayo. J Biomol Struct Dyn 2021
45
31

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
31

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
149
31


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
27

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions.
Mats H M Olsson, Chresten R Søndergaard, Michal Rostkowski, Jan H Jensen. J Chem Theory Comput 2011
27

Peptide-like and small-molecule inhibitors against Covid-19.
Suyash Pant, Meenakshi Singh, V Ravichandiran, U S N Murty, Hemant Kumar Srivastava. J Biomol Struct Dyn 2021
163
27



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.