Works by Jain, Sankalp

Results: 12

Editorial: Methods in predictive toxicology 2023.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1556352

By:

Jain, Sankalp;
Manganelli, Serena;
Gryshkova, Vitalina;
Rodrigues, Maria Armanda;
Magarkar, Aniket

Publication type:

Article

The binding modes and binding affinities of artemisinin derivatives with Plasmodium falciparum Ca-ATPase (PfATP6).

Published in:

Journal of Molecular Modeling, 2011, v. 17, n. 2, p. 333, doi. 10.1007/s00894-010-0726-4

By:

Naik, Pradeep Kumar;
Srivastava, Mani;
Bajaj, Prasad;
Jain, Sankalp;
Dubey, Abhishek;
Ranjan, Piyush;
Kumar, Rishay;
Singh, Harvinder

Publication type:

Article

Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 583, doi. 10.1007/s10822-018-0116-z

By:

Jain, Sankalp;
Kotsampasakou, Eleni;
Ecker, Gerhard F.

Publication type:

Article

Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP.

Published in:

Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 6, p. 507, doi. 10.1007/s10822-017-0021-x

By:

Jain, Sankalp;
Grandits, Melanie;
Richter, Lars;
Ecker, Gerhard

Publication type:

Article

One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening.

Published in:

Journal of Cheminformatics, 2025, v. 17, n. 1, p. 1, doi. 10.1186/s13321-025-00948-y

By:

Wellnitz, James;
Jain, Sankalp;
Hochuli, Joshua E.;
Maxfield, Travis;
Muratov, Eugene N.;
Tropsha, Alexander;
Zakharov, Alexey V.

Publication type:

Article

ANVAYA:: A WORKFLOWS ENVIRONMENT FOR AUTOMATED GENOME ANALYSIS.

Published in:

Journal of Bioinformatics & Computational Biology, 2012, v. 10, n. 4, p. 1250006-1, doi. 10.1142/S0219720012500060

By:

LIMAYE, BHAKTI;
BANERJEE, RUMA;
DATTA, AVIK;
INAMDAR, HARSHAL;
VATS, PANKAJ;
DAHALE, SONAL;
BHANDARI, ALOK;
RAMAKRISHNAN, E. P.;
TUPAKULA, RAJNIKANTH;
MALVIYA, SANDEEP;
BAYASKAR, AVINASH;
GADHARI, RENU;
JAIN, SANKALP;
GAVANE, VIVEK;
MAHAJAN, RASHMI;
SUNITHA, K;
JOSHI, RAJENDRA

Publication type:

Article

Application of temperature-responsive HIS-tag fluorophores to differential scanning fluorimetry screening of small molecule libraries.

Published in:

Frontiers in Pharmacology, 2022, v. 13, p. 1, doi. 10.3389/fphar.2022.1040039

By:

Ronzetti, Michael H.;
Baljinnyam, Bolormaa;
Itkin, Zina;
Jain, Sankalp;
Rai, Ganesha;
Zakharov, Alexey V.;
Pal, Utpal;
Simeonov, Anton

Publication type:

Article

GenoVault: a cloud based genomics repository.

Published in:

BioData Mining, 2021, v. 14, n. 1, p. 1, doi. 10.1186/s13040-021-00268-5

By:

Jain, Sankalp;
Saxena, Amit;
Hesarur, Suprit;
Bhadhadhara, Kirti;
Bharti, Neeraj;
Kasibhatla, Sunitha Manjari;
Sonavane, Uddhavesh;
Joshi, Rajendra

Publication type:

Article

Propafenone analogue with additional H‐bond acceptor group shows increased inhibitory activity on P‐glycoprotein.

Published in:

Archiv der Pharmazie, 2020, v. 353, n. 3, p. 1, doi. 10.1002/ardp.201900269

By:

Cseke, Anna;
Schwarz, Theresa;
Jain, Sankalp;
Decker, Simon;
Vogl, Kerstin;
Urban, Ernst;
Ecker, Gerhard F.

Publication type:

Article

AI-driven discovery of synergistic drug combinations against pancreatic cancer.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-56818-6

By:

Pourmousa, Mohsen;
Jain, Sankalp;
Barnaeva, Elena;
Jin, Wengong;
Hochuli, Joshua;
Itkin, Zina;
Maxfield, Travis;
Melo-Filho, Cleber;
Thieme, Andrew;
Wilson, Kelli;
Klumpp-Thomas, Carleen;
Michael, Sam;
Southall, Noel;
Jaakkola, Tommi;
Muratov, Eugene N.;
Barzilay, Regina;
Tropsha, Alexander;
Ferrer, Marc;
Zakharov, Alexey V.

Publication type:

Article

AI-driven discovery of synergistic drug combinations against pancreatic cancer.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-56818-6

By:

Pourmousa, Mohsen;
Jain, Sankalp;
Barnaeva, Elena;
Jin, Wengong;
Hochuli, Joshua;
Itkin, Zina;
Maxfield, Travis;
Melo-Filho, Cleber;
Thieme, Andrew;
Wilson, Kelli;
Klumpp-Thomas, Carleen;
Michael, Sam;
Southall, Noel;
Jaakkola, Tommi;
Muratov, Eugene N.;
Barzilay, Regina;
Tropsha, Alexander;
Ferrer, Marc;
Zakharov, Alexey V.

Publication type:

Article

Artificial Immune Cell, AI‐cell, a New Tool to Predict Interferon Production by Peripheral Blood Monocytes in Response to Nucleic Acid Nanoparticles.

Published in:

Small, 2022, v. 18, n. 46, p. 1, doi. 10.1002/smll.202204941

By:

Chandler, Morgan;
Jain, Sankalp;
Halman, Justin;
Hong, Enping;
Dobrovolskaia, Marina A.;
Zakharov, Alexey V.;
Afonin, Kirill A.

Publication type:

Article