Laboratory of Computational Biology weekly seminar series

Meeting announcements for the weekly seminars hosted by the groups of Richard Pastor and Bernard Brooks (Laboratory of Computational Biology, NHLBI, NIH).

Laboratory of Computational Biology
National Heart, Lung and Blood Institute
12 South Drive, Bldg. 12A, Suite 3053
Bethesda, MD 20892-5690

Unless otherwise specified, seminars are currently at Thursday 12:00 noon by Zoom


Date: Feb. 10, 2022
Speaker: Dr. Thomas Dannenhoffer-Lafage
Affiliation: Robert Best's group, NIDDK, NIH
Presentation: "Coarse-Grained Models for Intrinsically Disordered Proteins and Liquid-Liquid Phase Separation"

Date: Feb. 17, 2022
Speaker: Dr. Cristina Fenollar Ferrer
Affiliation: NIDCD, NIH
Presentation: "Structure and Regulation of Membrane Transporters"

Date: Mar. 3, 2022
Speaker: Dr. Aleksander Durumeric
Affiliation: Frank Noé's group, Freie Universität Berlin
Presentation: "Recent Advances in Machine-Learning and Coarse-Grained Force-Fields"

Date: Mar. 10, 2022
Speaker: Dr. Junmei Wang
Affiliation: School of Pharmacy, University of Pittsburgh
Presentation: "Current GAFF and GAFF-Based Scoring Function Development"

Date: Mar. 17, 2022
Speaker: Dr. Frank Pickard
Affiliation: Pfizer, Cambridge, Massachusetts, United States
Presentation: “The Thermodynamics of Polymorphism”

Date: Mar. 24, 2022
Speaker: Yihang Wang
Affiliation: Tiwary Research Group, University of Maryland, College Park
Presentation: "Investigating Biomolecular Rare Events with Artificial Intelligence Augmented Molecular Dynamics"

Date: Mar. 29, 2022
Speaker: Prof. Dusanka Janezic
Affiliation: National Institute of Chemistry, Ljubljana, Slovenia
Title: "ProBiS-Fold-CHARMMing: Binding site detection for structural Human Proteome in Drug Discovery"

Date: Mar. 31, 2022
Speaker: Dr. Samuel Schoenholz
Affiliation: Google, Mountain View, California, United States Title: TBA
Presentation: TBA

Date: Apr. 7, 2022
Speaker: Dr. Mohsen Sadeghi
Affiliation: Frank Noé's group, Freie Universität Berlin
Presentation: TBA

Date: Apr. 14, 2022
Speaker: Dr. Bin Zhang
Affiliation: Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts
Presentation: TBA

Date: Apr. 21, 2022
Speaker: Dr. Mark E. Tuckerman
Affiliation: Department of Chemistry and Molecular Design Institute, New York University, New York
Presentation: TBA

Date: Apr. 28, 2022
Speaker: Dr. Mohammed N. AlQuraishi
Affiliation: Department of Systems Biology, Columbia University
Presentation: TBA

Date: May 5, 2022
Speaker: Dr. Ann Ghysels
Affiliation: IBiTech-BioMMeda, Ghent University, Belgium
Presentation: "Permeability from path sampling"

Date: May 19, 2022
Speaker: Dr. Andreas Krämer
Affiliation: Frank Noé's group, Freie Universität Berlin
Presentation: "Deep learning approaches to molecular sampling"

Date: June 16, 2022
Speaker: Dr. Hatice Gökcan
Affiliation: Department of Chemistry, Mellon College of Science, Carnegie Mellon University
Presentation: "Prediction of Protein Side Chain pKa with Representation Learning"

Last edited by BRBrooks; 10/19/22 02:34 PM.