E-LIB Suche - Ergebnisse für: Ojha, Anupam A

1

Advancements and challenges in multiscale milestoning metho..:

Ojha, Anupam A. ; Amaro, Rommie E.
Biophysical Journal. 123 (2024) 3 - p. 431a , 2024

Link: https://doi.org/10.1016/..

2

Harnessing molecular simulations to design stabilized SARS-..:

Casalino, Lorenzo ; Nuqui, Xandra ; Zhou, Ling...
Biophysical Journal. 123 (2024) 3 - p. 56a , 2024

Link: https://doi.org/10.1016/..

3

Stabilized SARS-CoV-2 spike S2 immunogens designed using in..:

Nuqui, Xandra ; Casalino, Lorenzo ; Shehata, Mohamed...
Biophysical Journal. 122 (2023) 3 - p. 312a , 2023

Link: https://doi.org/10.1016/..

4

Hybrid enhanced sampling approaches to gain structural insi..:

Ojha, Anupam A. ; Amaro, Rommie E.
Biophysical Journal. 122 (2023) 3 - p. 187a , 2023

Link: https://doi.org/10.1016/..

5

SEEKR2: Versatile Multiscale Milestoning Utilizing the Open..:

Votapka, Lane W. ; Stokely, Andrew M. ; Ojha, Anupam A..
Journal of Chemical Information and Modeling. 62 (2022) 13 - p. 3253-3262 , 2022

Link: https://doi.org/10.1021/..

6

Gaussian-Accelerated Molecular Dynamics with the Weighted E..:

Ahn, Surl-Hee ; Ojha, Anupam A. ; Amaro, Rommie E..
Journal of Chemical Theory and Computation. 17 (2021) 12 - p. 7938-7951 , 2021

Link: https://doi.org/10.1021/..

7

Molecular Properties of Drugs Handled by Kidney OATs and Li..:

Nigam, Anisha K. ; Ojha, Anupam A. ; Li, Julia G....
Pharmaceutics. 13 (2021) 10 - p. 1720 , 2021

Link: https://doi.org/10.3390/..

8

Predicting Ligand Binding Kinetics Using a Markovian Milest..:

Jagger, Benjamin R. ; Ojha, Anupam A. ; Amaro, Rommie E.
Journal of Chemical Theory and Computation. 16 (2020) 8 - p. 5348-5357 , 2020

Link: https://doi.org/10.1021/..

9

A transportation problem with fuzzy-stochastic cost:

Ojha, Anupam ; Das, Barun ; Mondal, Shyamal Kumar.
Applied Mathematical Modelling. 38 (2014) 4 - p. 1464-1481 , 2014

Link: https://doi.org/10.1016/..

10

A multi-item transportation problem with fuzzy tolerance:

Ojha, Anupam ; Das, Barun ; Mondal, Shyamal Kumar.
Applied Soft Computing. 13 (2013) 8 - p. 3703-3712 , 2013

Link: https://doi.org/10.1016/..

11

Transportation policies for single and multi-objective tran..:

Ojha, Anupam ; Mondal, Shyamal Kr. ; Maiti, Manoranjan
Mathematical and Computer Modelling. 53 (2011) 9-10 - p. 1637-1646 , 2011

Link: https://doi.org/10.1016/..

12

Distinguishing Molecular Properties of OAT, OATP, and MRP D..:

Nigam, Anisha K. ; Momper, Jeremiah D. ; Ojha, Anupam Anand.
Pharmaceutics. 16 (2024) 5 - p. 592 , 2024

Link: https://doi.org/10.3390/..

13

DeepWEST: Deep Learning of Kinetic Models with the Weighted..:

Ojha, Anupam Anand ; Thakur, Saumya ; Ahn, Surl-Hee.
Journal of Chemical Theory and Computation. 19 (2023) 4 - p. 1342-1359 , 2023

Link: https://doi.org/10.1021/..

14

QMrebind: incorporating quantum mechanical force field repa..:

Ojha, Anupam Anand ; Votapka, Lane William ; Amaro, Rommie Elizabeth
Chemical Science. 14 (2023) 45 - p. 13159-13175 , 2023

Link: https://doi.org/10.1039/..

15

Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitor..:

Ojha, Anupam Anand ; Srivastava, Ambuj ; Votapka, Lane William.
Journal of Chemical Information and Modeling. 63 (2023) 8 - p. 2469-2482 , 2023

Link: https://doi.org/10.1021/..