Ron Levy's 70th+ Birthday Symposium:Exploring the Landscapes of Macromolecules
Richard A. Friesner
Combining conformational search and molecular dynamics methods to achieve accurate protein-ligand binding predictions and high-resolution protein structural refinement
William Jorgensen
Evolution of free-energy calculations
Douglas Kitchen
Exploring structure-activity relationships with computations and structure-guided drug discovery: Examples from a DNA repair enzyme
Benoit Roux
Predicting the potency of covalent kinase inhibitors from computations
Chia-En Chang
Michael Gilson
Carol Beth Post
Gregory Voth
Peter Wolynes
Landscape learning in 2023
Peter Rossky
David Case
Fumio Hirata
Wei Yang
Bernie Brooks
Gerhard Hummer
Molecular modeling and simulation of the human nuclear pore complex
Faruck Morcos
Jose Onuchic
Ilya Vakser
Jianhan Chen
Towards an accurate implicit solvent protein force field for simulating protein conformational ensembles
Charles Brooks
Guiding biocatalyst design through the establishment of structure-function hypotheses from ancestral phylogenetic reconstruction
Monte Pettitt
Biopolymer electrostatic potentials in solution: Comparing experiment and theory
Barry Honig
Structure-based proteome wide prediction of protein-protein and protein-compound interactions
Nobuyuki Matubayasi
Yinglong Miao
Emilio Gallicchio
Exploring alchemical landscapes
Chung Wong
Nanjie Deng
Estimating absolute binding free energy and entropy using different end-point methods
Ken Dill
Lingle Wang
Quantitatively accounting for protein reorganization free energies and applications in drug discovery
Dmitry Lyumkis
Mechanisms of resistance to integrase strand trasnfer inhibitors and potent inhibition of drug-resistant variants
Eddy Arnold
Successful drug design and broad insights from diverse structures of the multi-talented HIV-1 reverse transcriptase enzyme
Allan Haldane
Fitness landscapes to seascapes: Sequence covariation inference over multiple environments
