Spatio-temporal learning from molecular dynamics simulations for protein-ligand binding affinity prediction. [PDF]
Libouban PY +6 more
europepmc +1 more source
Tony Bennett, Pasts Beyond Memory: Evolution, Museums, Colonialism
Andrea Witcomb
doaj
Anti-Inflammatory Potential of 1-Aryl-6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinolines: Structure-Activity Relationship and COX-2 Binding. [PDF]
Azamatov AA +10 more
europepmc +1 more source
BAT2: an Open-Source Tool for Flexible, Automated, and Low Cost Absolute Binding Free Energy Calculations. [PDF]
Heinzelmann G, Huggins DJ, Gilson MK.
europepmc +1 more source
Electric Field Measurements Reveal the Pivotal Role of Cofactor-Substrate Interaction in Dihydrofolate Reductase Catalysis. [PDF]
Adesina AS +4 more
europepmc +1 more source
A dual experimental-theoretical perspective on ESPT photoacids and their challenges ahead. [PDF]
Sülzner N, Jung G, Nuernberger P.
europepmc +1 more source
Topical Meglumine Antimoniate Gel for Cutaneous Leishmaniasis: Formulation, Evaluation, and In Silico Insights. [PDF]
Sosa L +11 more
europepmc +1 more source
Cyclodextrin-assisted photostabilization of 5-fluorouracil: a combined kinetic and computational investigation. [PDF]
Khurshid A +9 more
europepmc +1 more source
Reassessment of the enigmatic crocodyliform "Goniopholis" paulistanus Roxo, 1936: Historical approach, systematic, and description by new materials. [PDF]
Piacentini Pinheiro AE +7 more
europepmc +1 more source

