David R Glowacki
Overview
Explore the profile of David R Glowacki including associated specialties, affiliations and a list of published articles.
Author names and details appear as published. Due to indexing inconsistencies, multiple individuals may share a name, and a single author may have variations. MedLuna displays this data as publicly available, without modification or verification
Snapshot
Snapshot
Articles
68
Citations
656
Followers
0
Related Specialties
Related Specialties
Top 10 Co-Authors
Top 10 Co-Authors
Published In
Published In
Affiliations
Affiliations
Soon will be listed here.
Recent Articles
1.
Hwang W, Austin S, Blondel A, Boittier E, Boresch S, Buck M, et al.
J Phys Chem B
. 2024 Sep;
128(41):9976-10042.
PMID: 39303207
Since its inception nearly a half century ago, CHARMM has been playing a central role in computational biochemistry and biophysics. Commensurate with the developments in experimental research and advances in...
2.
Deeks H, Zinovjev K, Barnoud J, Mulholland A, van der Kamp M, Glowacki D
Sci Rep
. 2023 Oct;
13(1):16665.
PMID: 37794083
We describe a two-step approach for combining interactive molecular dynamics in virtual reality (iMD-VR) with free energy (FE) calculation to explore the dynamics of biological processes at the molecular level....
3.
Crossley-Lewis J, Dunn J, Buda C, Sunley G, Elena A, Todorov I, et al.
J Mol Graph Model
. 2023 Sep;
125:108606.
PMID: 37660615
Interactive molecular dynamics simulation in virtual reality (iMD-VR) is emerging as a promising technique in molecular science. Here, we demonstrate its use in a range of fifteen applications in materials...
4.
Walters R, Gale E, Barnoud J, Glowacki D, Mulholland A
Expert Opin Drug Discov
. 2022 May;
17(7):685-698.
PMID: 35638298
Introduction: The potential of virtual reality (VR) to contribute to drug design and development has been recognized for many years. A recent advance is to use VR not only to...
5.
Glowacki D, Williams R, Wonnacott M, Maynard O, Freire R, Pike J, et al.
Sci Rep
. 2022 May;
12(1):8995.
PMID: 35637199
With a growing body of research highlighting the therapeutic potential of experiential phenomenology which diminishes egoic identity and increases one's sense of connectedness, there is significant interest in how to...
6.
Prlj A, Marsili E, Hutton L, Hollas D, Shchepanovska D, Glowacki D, et al.
ACS Earth Space Chem
. 2022 Jan;
6(1):207-217.
PMID: 35087992
Characterizing the photochemical reactivity of transient volatile organic compounds (VOCs) in our atmosphere begins with a proper understanding of their abilities to absorb sunlight. Unfortunately, the photoabsorption cross-sections for a...
7.
Chan H, Moesser M, Walters R, Malla T, Twidale R, John T, et al.
Chem Sci
. 2021 Nov;
12(41):13686-13703.
PMID: 34760153
The main protease (M) of SARS-CoV-2 is central to viral maturation and is a promising drug target, but little is known about structural aspects of how it binds to its...
8.
Shannon R, Deeks H, Burfoot E, Clark E, Jones A, Mulholland A, et al.
J Chem Phys
. 2021 Oct;
155(15):154106.
PMID: 34686059
The emerging fields of citizen science and gamification reformulate scientific problems as games or puzzles to be solved. Through engaging the wider non-scientific community, significant breakthroughs may be made by...
9.
Martinez-Nunez E, Barnes G, Glowacki D, Kopec S, Pelaez D, Rodriguez A, et al.
J Comput Chem
. 2021 Aug;
42(28):2036-2048.
PMID: 34387374
AutoMeKin2021 is an updated version of tsscds2018, a program for the automated discovery of reaction mechanisms (J. Comput. Chem. 2018, 39, 1922). This release features a number of new capabilities:...
10.
A community-powered search of machine learning strategy space to find NMR property prediction models
Bratholm L, Gerrard W, Anderson B, Bai S, Choi S, Dang L, et al.
PLoS One
. 2021 Jul;
16(7):e0253612.
PMID: 34283864
The rise of machine learning (ML) has created an explosion in the potential strategies for using data to make scientific predictions. For physical scientists wishing to apply ML strategies to...