MD simulations for rational design of high-affinity HDAC4 inhibitors – Analysis of non-bonding interaction energies for building new compounds von Dewaker, Varun, Srivastava, Pratik Narain, Debnath, Utsab, Srivastava, Ajay Kumar, Prabhakar, Yenamandra S.

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Insights from molecular dynamics simulations of TRPV1 channel modulators in pain von Dewaker, Varun, Sharma, Ashish R., Debnath, Utsab, Park, Sung Taek, Kim, Hyeong Su

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Copper-Catalyzed Oxidative [3 + 2]-Annulation of Quinoxalin-2(1H)‑one with Oxime Esters toward Functionalized Pyrazolo[1,5‑a]quinoxalin-4(5H)‑ones as Opioid Receptor Modulators... von Yadav, Anamika, Yadav, Anubhav, Tripathi, Shashank, Dewaker, Varun, Kant, Ruchir, Yadav, Prem Narayan, Srivastava, Ajay Kumar

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C‑Mannosyltransferase Is Essential for Malaria Transmission in Plasmodium berghei von Srivastava, Pratik Narain, Nayak, Bandita, Dewaker, Varun, Mishra, Satish

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Instigating the In Vitro Anticancer Activity of New Pyridine–Thiazole-Based Co(III), Mn(II), and Ni(II) Complexes: Synthesis, Structure, DFT, Docking, and MD Simulation Studies von Bera, Pradip, Aher, Abhishek, Brandao, Paula, Debnath, Utsab, Dewaker, Varun, Manna, Sunil Kr, Jana, Abhimanyu, Pramanik, Chandana, Mandal, Basudev, Bera, Pulakesh

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MD simulations for rational design of high-affinity HDAC4 inhibitors - Analysis of non-bonding interaction energies for building new compounds von Dewaker, Varun, Srivastava, Pratik Narain, Debnath, Utsab, Srivastava, Ajay Kumar, Prabhakar, Yenamandra S

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Discovery of 2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one derivatives as possible antileishmanial agents von Seth, Anuradha, Ghoshal, Anirban, Dewaker, Varun, Rani, Ankita, Singh, Sangh Priya, Dutta, Mukul, Katiyar, Shivani, Singh, Sandeep Kumar, Rashid, Mamunur, Wahajuddin, Muhammad, Kar, Susanta, Srivastava, Ajay Kumar

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Discovery of 2,3-dihydro-1-pyrrolo[3,4-]quinolin-1-one derivatives as possible antileishmanial agents von Seth, Anuradha, Ghoshal, Anirban, Dewaker, Varun, Rani, Ankita, Singh, Sangh Priya, Dutta, Mukul, Katiyar, Shivani, Singh, Sandeep Kumar, Rashid, Mamunur, Wahajuddin, Muhammad, Kar, Susanta, Srivastava, Ajay Kumar

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Discovery of 2,3-dihydro-1 H -pyrrolo[3,4- b ]quinolin-1-one derivatives as possible antileishmanial agents von Seth, Anuradha, Ghoshal, Anirban, Dewaker, Varun, Rani, Ankita, Singh, Sangh Priya, Dutta, Mukul, Katiyar, Shivani, Singh, Sandeep Kumar, Rashid, Mamunur, Wahajuddin, Muhammad, Kar, Susanta, Srivastava, Ajay Kumar

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In Silico Study and Validation of Phosphotransacetylase (PTA) as a Putative Drug Target for Staphylococcus aureus by Homology-Based Modelling and Virtual Screening von Morya, V. K., Dewaker, Varun, Kim, Eun-Ki

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In silico exploration and in vitro validation of the filarial thioredoxin reductase inhibitory activity of Scytonemin and its derivatives von Sen, Animesh, Dewaker, Varun, Debnath, Utsab, Jana, Kuladip, Rath, Jnanendra, Joardar, Nikhilesh, Babu, Santi P. Sinha

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Investigation of HDAC8-ligands’ intermolecular forces through molecular dynamics simulations: profiling of non-bonding energies to design potential compounds as new anti-cancer age... von Dewaker, Varun, Srivastava, Ajay K., Arora, Ashish, Prabhakar, Yenamandra S.

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Non-bonding energy directed designing of HDAC2 inhibitors through molecular dynamics simulation von Dewaker, Varun, Srivastava, Pratik Narain, Verma, Saroj, Srivastava, Ajay K., Prabhakar, Yenamandra S.

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Molecular dynamics study of HDAC8-largazole analogues co-crystals for designing potential anticancer compounds von Varun Dewaker, Pratik Narain Srivastava, Verma, Saroj, Yenamandra S. Prabhakar

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