Conference Presentations & Talks
🎯 Featured Presentation
My 38-Year Journey with Neural Networks: Can They Further Unlock Pichia's Potential?
Pichia 2024 Conference - March 26, 2024
Other Presentations
Building a business with and without scientific computing: The five W's and one H
San Diego ACS - March 14, 2016
New strategies to engage more of the world with scientific app development and content deployment
San Francisco ACS - August 11, 2014
Standing on the Shoulders of Giants: New strategies to involve more of the world with data mining and intelligence extraction
International II-SDV Conference, Nice, France - April 14, 2014
Expanding the Reach of ChemInformatics through Mobile Computing
New Orleans ACS - April 10, 2013
Integrating proprietary and public-domain data from Kinase publications and patents from a biopharmaceutical company's perspective
Webinar - September 25, 2012
Why Future Medicines Will Need to be Discovered in the Cloud
San Francisco Bio-IT World Cloud Summit - September 13, 2012
Having a mobile app presence - necessary or nice to have
San Diego ACS - March 26, 2012
Using Structural and Receptor-Site Similarity to Generate New Matter Ideas
Denver ACS - August 30, 2011
Riding the Mobile Wave
Denver ACS - August 29, 2011
Catching the Mobile Wave
Web Publication
The Mobile Kinome
ChemAxon UGM, Budapest - May 20, 2010
Using knowledgebases of structure-activity-data, receptor-site and protein structural similarity to generate new matter ideas
ACS Washington D.C. - August 16, 2009
Using Sequence-, Structure- and Receptor-site Similarity to Generate New Matter Ideas within the Kinome
Accelrys Life Science Forums - June 2009
Using Receptor-Site and Protein Structure Similarity to Generate New Matter Ideas
UK QSAR - May 14, 2009
Using Receptor-Site Similarity to LigandCross into New Diversity
CHI Fragment-Based Techniques - April 8, 2009
Exercising receptor-site similarity: From Off-Target Identification to Scaffold Hopping
ACS - August 17, 2008
Surveying ligand- and target-based similarities within the Kinome
ACS - August 17, 2008
Interrogating the Druggable Proteome: Target-Fishing and Drug Design
Beijing - October 23, 2008
Peer-Reviewed Publications
🏆 Highly Cited Papers
Prediction of human intestinal absorption of drug compounds from molecular structure (485 citations)
MD Wessel, PC Jurs, JW Tolan, SM Muskal
Journal of Chemical Information and Computer Sciences 38 (4), 726-735 (1998)
Pharmacophore Fingerprinting. 1. Application to QSAR and Focused Library Design (265 citations)
MJ McGregor, SM Muskal
Journal of Chemical Information and Computer Sciences 39 (3), 569-574 (1999)
Prediction of the disulfide-bonding state of cysteine in proteins (148 citations)
SM Muskal, SR Holbrook, SH Kim
Protein Engineering, Design and Selection 3 (8), 667-672 (1990)
Predicting surface exposure of amino acids from protein sequence (146 citations)
SR Holbrook, SM Muskal, SH Kim
Protein Engineering, Design and Selection 3 (8), 659-665 (1990)
Predicting protein secondary structure content: A tandem neural network approach (129 citations)
SM Muskal, SH Kim
Journal of Molecular Biology 225 (3), 713-727 (1992)
Pharmacophore Fingerprinting. 2. Application to Primary Library Design (112 citations)
MJ McGregor, SM Muskal
Journal of Chemical Information and Computer Sciences 40 (1), 117-125 (2000)
Recent Publications
Sonic Stimulation and Low Power Microwave Radiation Can Modulate Bacterial Virulence Towards Caenorhabditis elegans
Muskal, S. M., et al.
Anti-Infective Agents, 2019, 17, 150-162
High quality, small molecule-activity datasets for kinase research
Muskal, S. M., et al.
F1000Research, June 14, 2016
Lovastatin lactone may improve irritable bowel syndrome with constipation (IBS-C) by inhibiting enzymes in the archaeal methanogenesis pathway
Muskal, S. M.
F1000Research, April 8, 2016
Kinase & Drug Discovery
Kinome-wide Activity Modeling from Diverse Public High-Quality Data Sets
Muskal, S. M., et al.
J. Chem. Inf. Model. August 24, 2012
Novel Kinase Inhibitors by Reshuffling Ligand Functionalities Across the Human Kinome
Muskal, S. M., et al.
J. Chem. Inf. Model. November 5, 2012
Computational Methods & Tools
Reaction101 and Yield101: Two mobile apps for chemistry with pedagogical value
Muskal, S. M., et al.
Whitepaper (2011)
Interrogating the druggable genome with structural informatics
Muskal, S. M., et al.
Molecular Diversity (2006)
StructSorter: A Method for Continuously Updating a Comprehensive Protein Structure Alignment Database
Muskal, S. M., et al.
J. Chem. Inf. Model. 2006, 46, 1871-1876
STRUCTFAST: Protein Sequence Remote Homology Detection and Alignment Using Novel Dynamic Programming and Profile-Profile Scoring
Muskal, S. M., et al.
Proteins. 2006 64:960-967
Prospective Exploration of Synthetically Feasible, Medicinally Relevant Chemical Space
Muskal, S. M., et al.
J. Chem. Inf. Model. 2005, 45, 239-248
ADMET & Toxicity Prediction
A Simple and Readily Integratable Approach to Toxicity Prediction
Muskal, S. M., et al.
J. Chem. Inf. Comput. Sci. 2003, 43, 1673-1678
Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure
Muskal, S. M., et al.
J. Chem. Inf. Comput. Sci. 1998, 38, 726-735
Early AI & Neural Network Research
Artificial Intelligence and Molecular Biology: Chapter 4 - Predicting Protein Structural Features With Artificial Neural Networks
Muskal, S. M.
Cambridge, MIT Press (1993)
Predicting Protein Secondary Structure Content: A Tandem Neural Network Approach
Muskal, S. M., et al.
J. Mol. Biol. (1992) 225, 713-727
Predicting surface exposure of amino acids from protein sequence
Holbrook, S. R., Muskal, S. M.
Protein Engineering vol. 3 no. 8 pp. 659-665, 1990
Prediction of the disulfide-bonding state of cysteine in proteins
Muskal, S. M., et al.
Protein Engineering vol. 3 no. 8 pp. 667-672, 1990