Advertisement

Browse Subject Areas

?

Click through the PLOS taxonomy to find articles in your field.

For more information about PLOS Subject Areas, click here.

Small molecules

Memory augmented recurrent neural networks for de-novo drug design

Naveen Suresh, Neelesh Chinnakonda Ashok Kumar, Srikumar Subramanian, Gowri Srinivasa

published 23 Jun 2022

Loading metrics information...

Metrics unavailable. Please check back later.

Drug discovery of small molecules targeting the higher-order hTERT promoter G-quadruplex

Robert C. Monsen, Jon M. Maguire, Lynn W. DeLeeuw, Jonathan B. Chaires, John O. Trent

published 16 Jun 2022

Loading metrics information...

Metrics unavailable. Please check back later.

Targeting mitochondrial DNA polymerase gamma for selective inhibition of MLH1 deficient colon cancer growth

Berna Somuncu, Aysegul Ekmekcioglu, Fatma Merve Antmen, Tugce Ertuzun, Emre Deniz, Nazli Keskin, Joon Park, Ilgu Ece Yazici, Busra Simsek, Batu Erman, Whitney Yin, Burak Erman, Meltem Muftuoglu

published 03 Jun 2022

Loading metrics information...

Metrics unavailable. Please check back later.

PlaceWaters: Real-time, explicit interface water sampling during Rosetta ligand docking

Shannon T. Smith, Laura Shub, Jens Meiler

published 31 May 2022

Loading metrics information...

Metrics unavailable. Please check back later.

Effect of airway clearance therapies on mucociliary clearance in adults with cystic fibrosis: A randomized controlled trial

Aaron Trimble, Kirby Zeman, Jihong Wu, Agathe Ceppe, William Bennett, Scott Donaldson

published 20 May 2022

Loading metrics information...

Metrics unavailable. Please check back later.

Aurintricarboxylic acid is a canonical disruptor of the TAZ-TEAD transcriptional complex

Kepeng Che, Ajaybabu V. Pobbati, Caleb N. Seavey, Yuriy Fedorov, Anton A. Komar, Ashley Burtscher, Shuang Ma, Brian P. Rubin

published 13 Apr 2022

Loading metrics information...

Metrics unavailable. Please check back later.

Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free energy calculations

Que-Huong Tran, Quoc-Thai Nguyen, Nguyen-Quynh-Huong Vo, Tan Thanh Mai, Thi-Thuy-Nga Tran, Thanh-Dao Tran, Minh-Tri Le, Dieu-Thuong Thi Trinh, Khac-Minh Thai

published 06 Apr 2022

Loading metrics information...

Metrics unavailable. Please check back later.

Automated fitting of transition state force fields for biomolecular simulations

Taylor R. Quinn, Himani N. Patel, Kevin H. Koh, Brandon E. Haines, Per-Ola Norrby, Paul Helquist, Olaf Wiest

published 10 Mar 2022

Loading metrics information...

Metrics unavailable. Please check back later.

Interaction between β-lactoglobulin and EGCG under high-pressure by molecular dynamics simulation

Yechuan Huang, Xicai Zhang, Huayi Suo

published 21 Dec 2021

Loading metrics information...

Metrics unavailable. Please check back later.

Budesonide promotes airway epithelial barrier integrity following double-stranded RNA challenge

Clara Rimmer, Savas Hetelekides, Sophia I. Eliseeva, Steve N. Georas, Janelle M. Veazey

published 06 Dec 2021

Loading metrics information...

Metrics unavailable. Please check back later.

Peritoneal dialysis modality transition and impact on phosphate and potassium serum levels

Daniela Peruzzo, Murilo Guedes, John W. Larkin, Guilherme Yokoyama, Taynara Lopes dos Santos, Roberto Pecoits-Filho, Silvia Carreira Ribeiro, Alfonso Ramos, Pasqual Barretti, Thyago Proença de Moraes, on behalf of the BRAZPD Investigators

published 15 Oct 2021

Loading metrics information...

Metrics unavailable. Please check back later.

Dabrafenib, idelalisib and nintedanib act as significant allosteric modulator for dengue NS3 protease

R. V. Sriram Uday, Rajdip Misra, Annaram Harika, Sandip Dolui, Achintya Saha, Uttam Pal, V. Ravichandiran, Nakul C. Maiti

published 10 Sep 2021

Loading metrics information...

Metrics unavailable. Please check back later.

Synthetic modified Fezf2 mRNA (modRNA) with concurrent small molecule SIRT1 inhibition enhances refinement of cortical subcerebral/corticospinal neuron identity from mouse embryonic stem cells

Cameron Sadegh, Wataru Ebina, Anthony C. Arvanites, Lance S. Davidow, Lee L. Rubin, Jeffrey D. Macklis

published 02 Sep 2021

Loading metrics information...

Metrics unavailable. Please check back later.

Advertisement

Create a weekly email alert for: Small molecules

You can change these options by clicking profile then "Alerts and Notifications"