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#Chemdraw ultra cambridgesoft free#

Journal of Molecular Graphics and Modelling 2021, 107, 107949.

#Chemdraw ultra cambridgesoft free#

Alemtuzumab scFv fragments and CD52 interaction study through molecular dynamics simulation and binding free energy.

Natália Fernandes Frota, Alison de Sousa Rebouças, Carlos Alessandro Fuzo, Marcos Roberto Lourenzoni.

Journal of Biomolecular Structure and Dynamics 2021, 14, 1-11. carbazole: synthesis, characterization (IR, NMR), DFT, antimicrobial-antioxidant activities and docking study.

Yasemin Ünver, Nevin Süleymanoğlu, Reşat Ustabaş, Kadriye İnan Bektaş, Ersan Bektaş, Halil İbrahim Güler.

Journal of Heterocyclic Chemistry 2021, 58 Synthesis of non‐toxic anticancer active forskolin‐indole‐triazole conjugates along with their in silico succinate dehydrogenase inhibition studies.

Devendar Ponnam, Niranjana Kumar Arigari, Satya Srinivas Kalvagunta Venkata Naga, Kotesh Kumar Jonnala, Shilpi Singh, Abha Meena, Pallavi Misra, Suaib Luqman.

Future Journal of Pharmaceutical Sciences 2021, 7 Design of more potent quinazoline derivatives as EGFRWT inhibitors for the treatment of NSCLC: a computational approach.

Muhammad Tukur Ibrahim, Adamu Uzairu, Sani Uba, Gideon Adamu Shallangwa.

Egyptian Journal of Medical Human Genetics 2021, 22 Computer-aided design of some quinazoline analogues as epidermal growth factor receptor inhibitors.

Muhammad Tukur Ibrahim, Adamu Uzairu, Gideon Adamu Shallangwa, Sani Uba.

Journal of Genetic Engineering and Biotechnology 2021, 19 Predicting the bioactivity of 2-alkoxycarbonylallyl esters as potential antiproliferative agents against pancreatic cancer (MiaPaCa-2) cell lines: GFA-based QSAR and ELM-based models with molecular docking.

Oluwatoba Emmanuel Oyeneyin, Babatunde Samuel Obadawo, Adesoji Alani Olanrewaju, Taoreed Olakunle Owolabi, Fahidat Adedamola Gbadamosi, Nureni Ipinloju, Helen Omonipo Modamori.

The Journal of Physical Chemistry B 2011, 115 Importance of Polar Solvation for Cross-Reactivity of Antibody and Its Variants with Steroids.

Parimal Kar, Reinhard Lipowsky, and Volker Knecht.

The Journal of Physical Chemistry A 2013, 117

Atmospheric Significance of Water Clusters and Ozone–Water Complexes. Inhibiting the β-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs). Bethel, Chiara Romagnoli, Emilia Caselli, Fabio Prati, John S. Design, Multicomponent Synthesis, and Anticancer Activity of a Focused Histone Deacetylase (HDAC) Inhibitor Library with Peptoid-Based Cap Groups. Dekker, Thomas Kurz, Manfred Jung, Holger Gohlke, Matthias U.

Zwinderman, Martin Marek, Christophe Romier, Frank J. Viktoria Krieger, Alexandra Hamacher, Christoph G.Alkoxyurea-Based Histone Deacetylase Inhibitors Increase Cisplatin Potency in Chemoresistant Cancer Cell Lines. Gertzen, Johanna Senger, Viktoria Marquardt, Linda Marek, Martin Marek, Christophe Romier, Marc Remke, Manfred Jung, Holger Gohlke, Matthias U. Katharina Stenzel, Alexandra Hamacher, Finn K.Designing Algorithms To Aid Discovery by Chemical Robots. First-Principles Density Functional Theory Calculations for Formic Acid Adsorption onto Hydro-Garnet Compounds. Masanobu Nakayama, Kunihiro Ishida, Kentaro Watanabe, Naoto Tanibata, Hayami Takeda, Hirotaka Maeda, Toshihiro Kasuga.Potent, Efficacious, and Stable Cyclic Opioid Peptides with Long Lasting Antinociceptive Effect after Peripheral Administration. Azzurra Stefanucci, Marilisa Pia Dimmito, Giorgia Macedonio, Laura Ciarlo, Stefano Pieretti, Ettore Novellino, Wei Lei, Deborah Barlow, Karen L.Journal of Chemical Information and Modeling 2020, 60 ChemSchematicResolver: A Toolkit to Decode 2D Chemical Diagrams with Labels and R-Groups into Annotated Chemical Named Entities. This article is cited by 127 publications.